CID 747832

3'-methyl-biphenyl-3-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

CC1=CC(=CC=C1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)

InChIKey

BJVLFJADOVATRU-UHFFFAOYSA-N

Compound name

3-(3-methylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 118
Patents: 212.08372 Da
Monoisotopic Mass: 4.0
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]+	213.090996	145.0
[M+Na]+	235.072938	153.1
[M-H]-	211.076444	151.0
[M+NH4]+	230.117543	163.1
[M+K]+	251.046878	149.4
[M+H-H2O]+	195.080980	138.4
[M+HCOO]-	257.081921	167.6
[M+CH3COO]-	271.097571	185.8
[M+Na-2H]-	233.058386	150.1
[M]+	212.08317142	144.6
[M]-	212.08426858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe