CID 1501998

885951-66-6

Structural Information

Molecular Formula
C13H9BrO2
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
InChIKey
IZEOXGJWZDXOEI-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

275.97858 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98586 149.3
[M+Na]+ 298.96780 154.6
[M+NH4]+ 294.01240 154.4
[M+K]+ 314.94174 153.8
[M-H]- 274.97130 151.7
[M+Na-2H]- 296.95325 155.3
[M]+ 275.97803 149.7
[M]- 275.97913 149.7
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