CID 32153

23948-77-8

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

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

InChI

InChI=1S/C14H12O2/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)

InChIKey

VLQLJPWPRYUYMK-UHFFFAOYSA-N

Compound name

2-(3-phenylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 97
References: 293
Patents: 212.08372 Da
Monoisotopic Mass: 3.2
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	146.8
[M+Na]+	235.07294	161.5
[M+NH4]+	230.11754	155.7
[M+K]+	251.04688	153.9
[M-H]-	211.07644	151.1
[M+Na-2H]-	233.05839	156.5
[M]+	212.08317	150.2
[M]-	212.08427	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe