Benzo[c]chromenylium | 229-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Benzo[c]chromenylium
• 英文别名: Dibenzo[b,d]pyrylium cation；benzo[c]chromen-5-ium
• CAS: 229-97-0
• 化学式: C₁₃H₉O
• 分子量: 181.214
• InChiKey: CLIISXFFTCTFDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.87
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2-phenylbenzo[b][1,4]dioxine 生成 Benzo[c]chromenylium
  参考文献：
  名称：

  Mechanisms of formation of [MHCO]+ and [MC6H5CO]+ ions from isomers of 1,4-benzodioxin derivatives

  摘要：

  AbstractIt is demonstrated that phenyl and benzocyclobutenyl derivatives of 1,4‐benzodioxin interconvert before fragmentation at low internal energy. The mechanisms of the two major fragmentations (HCO and C6H5CO losses) are investigated by means of kinetic energy release determination and appearance energy measurements. From these experiments it is concluded that the fragment ions possess a dibenzopyran structure.

  DOI：

  10.1002/oms.1210160604

文献信息

• Mechanisms of formation of [MHCO]+ and [MC6H5CO]+ ions from isomers of 1,4-benzodioxin derivatives
  作者：Guy Bouchoux、Jacques Dagaut

  DOI：10.1002/oms.1210160604

  日期：1981.6

  AbstractIt is demonstrated that phenyl and benzocyclobutenyl derivatives of 1,4‐benzodioxin interconvert before fragmentation at low internal energy. The mechanisms of the two major fragmentations (HCO and C6H5CO losses) are investigated by means of kinetic energy release determination and appearance energy measurements. From these experiments it is concluded that the fragment ions possess a dibenzopyran structure.