CID 244026

2-(2-bromoacetyl)benzoic acid

Structural Information

Molecular Formula
C9H7BrO3
SMILES
C1=CC=C(C(=C1)C(=O)CBr)C(=O)O
InChI
InChI=1S/C9H7BrO3/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
ZUXBPGMQEGEWHI-UHFFFAOYSA-N
Compound name
2-(2-bromoacetyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

241.95786 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96514 140.2
[M+Na]+ 264.94708 142.6
[M+NH4]+ 259.99168 143.9
[M+K]+ 280.92102 144.0
[M-H]- 240.95058 139.3
[M+Na-2H]- 262.93253 142.7
[M]+ 241.95731 138.9
[M]- 241.95841 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe