CID 256062

2-(4-bromobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H9BrO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C14H9BrO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey
NONNFIAFWRSPPY-UHFFFAOYSA-N
Compound name
2-(4-bromobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

42
Patents

303.9735 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98078 158.2
[M+Na]+ 326.96272 168.5
[M-H]- 302.96622 166.3
[M+NH4]+ 322.00732 175.8
[M+K]+ 342.93666 157.1
[M+H-H2O]+ 286.97076 157.5
[M+HCOO]- 348.97170 177.5
[M+CH3COO]- 362.98735 197.5
[M+Na-2H]- 324.94817 162.8
[M]+ 303.97295 176.4
[M]- 303.97405 176.4
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