Benzoic acid, 4-bromo-, methyl ester

Formula: C₈H₇BrO₂
Molecular weight: 215.044
IUPAC Standard InChI: InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
IUPAC Standard InChIKey: CZNGTXVOZOWWKM-UHFFFAOYSA-N
CAS Registry Number: 619-42-1
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Benzoic acid, p-bromo-, methyl ester; p-Bromobenzoic acid, methyl ester; Methyl p-bromobenzoate; Methyl 4-bromobenzoate; 4-Bromobenzoic acid, methyl ester
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Gas phase ion energetics data

Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV)	Method	Reference
9.47	EI	Howe and Williams, 1969

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₇H₄OBr⁺	11.11	?	EI	Howe and Williams, 1969

References

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Howe and Williams, 1969
Howe, I.; Williams, D.H., Calculation and qualitative predictions of mass spectra. Mono- and paradisubstituted benzenes, J. Am. Chem. Soc., 1969, 91, 7137. [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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