CID 12854

Biphenyl-3-carboxylic acid

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)

InChIKey

XNLWJFYYOIRPIO-UHFFFAOYSA-N

Compound name

3-phenylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 1892
Patents: 198.06808 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.07536	142.2
[M+Na]+	221.05730	157.1
[M+NH4]+	216.10190	151.3
[M+K]+	237.03124	149.8
[M-H]-	197.06080	146.6
[M+Na-2H]-	219.04275	152.2
[M]+	198.06753	145.7
[M]-	198.06863	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe