perfluoroisopropyl bromobutyl ether | 84808-61-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: perfluoroisopropyl bromobutyl ether
• CAS: 84808-61-7
• 化学式: C₇BrF₁₅O
• 分子量: 464.956
• InChiKey: PTWIMDVFWLEEOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  四氟乙烯 、 六氟丙酮 在 potassium fluoride 、 溴 、 碘 作用下， 生成 perfluoroisopropyl bromobutyl ether
  参考文献：
  名称：

  Collisionally induced dissociation mass spectrometric studies of perfluorinated 1H-heptane,tert-butanol, 2-butyltetrahydrofuran and isopropyl bromobutyl ether

  摘要：

  AbstractHigh‐energy collision‐activated dissociation in connection with mass‐analyzed ion kinetic energy spectrometry (CAD/MIKES) was employed to probe the structures of some ions generated by methane chemical ionization (CI) and negative ion chemical ionization (NICI) of the title compounds. CAD/MIKES results show that the [M  H]− ion of lH‐perfluorobeptane and the [O(CF2)4Br]− ion of perfluoroisopropylbromobutyl ether are stable. The methane CI of these fluorocarbons also showed that the expulsion of HF molecules appears to be a major driving force for further fragmentations.

  DOI：

  10.1002/oms.1210250409

文献信息

• Collisionally induced dissociation mass spectrometric studies of perfluorinated 1H-heptane,tert-butanol, 2-butyltetrahydrofuran and isopropyl bromobutyl ether
  作者：Sunkwei Huang、Albert Tuinman

  DOI：10.1002/oms.1210250409

  日期：1990.4

  AbstractHigh‐energy collision‐activated dissociation in connection with mass‐analyzed ion kinetic energy spectrometry (CAD/MIKES) was employed to probe the structures of some ions generated by methane chemical ionization (CI) and negative ion chemical ionization (NICI) of the title compounds. CAD/MIKES results show that the [M  H]− ion of lH‐perfluorobeptane and the [O(CF2)4Br]− ion of perfluoroisopropylbromobutyl ether are stable. The methane CI of these fluorocarbons also showed that the expulsion of HF molecules appears to be a major driving force for further fragmentations.