CID 2759815

5748-43-6

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)O

InChI

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

InChIKey

NDNIPPKLIDCYGD-UHFFFAOYSA-N

Compound name

4-(2-methylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 340
Patents: 212.08372 Da
Monoisotopic Mass: 3.4
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]+	213.09100	146.4
[M+Na]+	235.07294	161.4
[M+NH4]+	230.11754	155.2
[M+K]+	251.04688	154.1
[M-H]-	211.07644	150.7
[M+Na-2H]-	233.05839	155.8
[M]+	212.08317	149.9
[M]-	212.08427	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe