CID 39302

O-(4-biphenylylcarbonyl)benzoic acid

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)

InChIKey

NBYNVBRXIUUSIG-UHFFFAOYSA-N

Compound name

2-(4-phenylbenzoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 193
Patents: 302.0943 Da
Monoisotopic Mass: 4.1
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]+	303.10158	170.4
[M+Na]+	325.08352	186.3
[M+NH4]+	320.12812	178.4
[M+K]+	341.05746	178.3
[M-H]-	301.08702	176.5
[M+Na-2H]-	323.06897	181.4
[M]+	302.09375	174.5
[M]-	302.09485	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe