CID 69251

Benzoyl bromide, 3-bromo-

Structural Information

Molecular Formula
C7H4Br2O
SMILES
C1=CC(=CC(=C1)Br)C(=O)Br
InChI
InChI=1S/C7H4Br2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChIKey
PFABNMHNELCDLT-UHFFFAOYSA-N
Compound name
3-bromobenzoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

261.86288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.87016 132.0
[M+Na]+ 284.85210 143.2
[M-H]- 260.85560 139.0
[M+NH4]+ 279.89670 152.3
[M+K]+ 300.82604 128.4
[M+H-H2O]+ 244.86014 140.6
[M+HCOO]- 306.86108 148.7
[M+CH3COO]- 320.87673 197.8
[M+Na-2H]- 282.83755 139.9
[M]+ 261.86233 165.6
[M]- 261.86343 165.6
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