CID 5105981

3'-bromo-biphenyl-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

275.97858 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.985856 152.1
[M+Na]+ 298.967798 163.1
[M-H]- 274.971304 160.3
[M+NH4]+ 294.012403 171.1
[M+K]+ 314.941738 151.4
[M+H-H2O]+ 258.975840 151.8
[M+HCOO]- 320.976781 172.4
[M+CH3COO]- 334.992431 192.6
[M+Na-2H]- 296.953246 158.4
[M]+ 275.97803142 169.9
[M]- 275.97912858 169.9
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