CID 12056

Benzoyl bromide

Structural Information

Molecular Formula
C7H5BrO
SMILES
C1=CC=C(C=C1)C(=O)Br
InChI
InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
AQIHMSVIAGNIDM-UHFFFAOYSA-N
Compound name
benzoyl bromide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

6772
Patents

183.95238 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.95966 128.0
[M+Na]+ 206.94160 139.5
[M-H]- 182.94510 134.5
[M+NH4]+ 201.98620 151.2
[M+K]+ 222.91554 129.5
[M+H-H2O]+ 166.94964 128.8
[M+HCOO]- 228.95058 150.1
[M+CH3COO]- 242.96623 178.2
[M+Na-2H]- 204.92705 137.1
[M]+ 183.95183 145.9
[M]- 183.95293 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe