CID 2756836

4-(2-bromoacetyl)benzoic acid

Structural Information

Molecular Formula
C9H7BrO3
SMILES
C1=CC(=CC=C1C(=O)CBr)C(=O)O
InChI
InChI=1S/C9H7BrO3/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
ZMHLKKVZTJBBHK-UHFFFAOYSA-N
Compound name
4-(2-bromoacetyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

241.95786 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96514 141.8
[M+Na]+ 264.94708 152.5
[M-H]- 240.95058 146.9
[M+NH4]+ 259.99168 162.0
[M+K]+ 280.92102 141.9
[M+H-H2O]+ 224.95512 142.0
[M+HCOO]- 286.95606 161.4
[M+CH3COO]- 300.97171 186.2
[M+Na-2H]- 262.93253 147.3
[M]+ 241.95731 160.3
[M]- 241.95841 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