CID 414155

Nsc55810

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

InChI

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

InChIKey

WAQLLKFBGYDVPQ-UHFFFAOYSA-N

Compound name

2-(2-benzoylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 302.0943 Da
Monoisotopic Mass: 3.9
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