Rearrangements of the Radical Cations of 3-Aryl-5-fluoroisoxazoles: Further Evidence for Existence of Benzocyclopropenyl Cation.

Oksana B BondarenkoArseniy I KomarovSvetlana N NikolaevaTina HoltAndrei G KutateladzeIgor P Gloriozov

Published in: Journal of the American Society for Mass Spectrometry (2023)

The fragmentation reaction of the radical cations of 3-aryl-5-fluoroisoxazoles formed via EI-MS is described. A new rearrangement accompanied by fluorine atom migration is discovered. A mechanistic rationale for the rearrangement supporting the existence of a fluorinated benzocyclopropenyl cation was proposed based on the experimental data and quantum chemical calculations.

Keyphrases

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