Phenol, 4-bromo-, acetate
- Formula: C8H7BrO2
- Molecular weight: 215.044
- IUPAC Standard InChI: InChI=1S/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
- IUPAC Standard InChIKey: XEXHCQJRVMVJMY-UHFFFAOYSA-N
- CAS Registry Number: 1927-95-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phenol, p-bromo-, acetate; p-Acetoxybromobenzene; p-Bromophenyl acetate; Acetic acid, 4-bromophenyl ester; 4-bromophenyl acetate
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.6 ± 0.2 | EI | Gamble, Gilbert, et al., 1971 |
| 8.42 ± 0.03 | EI | Benezra and Bursey, 1971 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 12.9 ± 0.2 | ? | EI | Gamble, Gilbert, et al., 1971 | |
| C2H3O+ | 13.06 ± 0.03 | Cyclo-C6H4 | EI | Benezra and Bursey, 1971 | |
| C6H5OBr+ | 10.1 ± 0.2 | CH2=C=O | EI | Gamble, Gilbert, et al., 1971 | |
| C6H5OBr+ | 9.84 ± 0.03 | CH2=C=O | EI | Benezra and Bursey, 1971 |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gamble, Gilbert, et al., 1971
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G.,
Substituent effects on the mass spectra of substituted phenyl acetates,
Org. Mass Spectrom., 1971, 5, 1093. [all data]
Benezra and Bursey, 1971
Benezra, S.A.; Bursey, M.M.,
ortho-Effects on ordering factors in mass spectral rearrangements. Loss of keten from halogenated phenyl acetates and acetanilides,
J. Chem. Soc. B, 1971, 1515. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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