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

77
Patents

241.95786 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.965136 141.8
[M+Na]+ 264.947078 152.5
[M-H]- 240.950584 146.9
[M+NH4]+ 259.991683 162.0
[M+K]+ 280.921018 141.9
[M+H-H2O]+ 224.955120 142.0
[M+HCOO]- 286.956061 161.4
[M+CH3COO]- 300.971711 186.2
[M+Na-2H]- 262.932526 147.3
[M]+ 241.95731142 160.3
[M]- 241.95840858 160.3
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