Mass spectra of 3,3-difluoro-1-halo-2-arylcyclopropenes |
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Authors: | Ding Mei-Fang Lin Shaw-Tao Hong Chung-Hong |
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Institution: | Department of Applied Chemistry, Providence University, 200 Chung-Chi Road, Sha-Lu, Taichung 43301, Taiwan. |
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Abstract: | The electron ionization (EI) mass spectra of a series of 3,3-difluoro-1-halo-2-arylcyclo- propenes (1, 2) give the fragments M-X](+) (X: Br, Cl) as the base peaks. A comparison of tandem mass spectrometry (MS/MS) profiles of the m/z 151 ions recorded from compounds 1 and 2 and 3-bromo-3,3-difluoro-1-phenylcyclopropyne (5), 1,1,2,2-tetrafluoro-3-phenyl- cyclopropane (6), 1,1,2,2-tetrafluoroindane (7), and 2,3,3-trifluoroindene (8) suggested that the structure of the derived M-X](+) fragment ion is more likely that of a substituted cyclopropenium ion. The results from calculations using the density functional theory (DFT) method support this MS/MS analysis. |
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