CID 2756265

408367-33-9

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

CC(=O)C1=CC=CC(=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H12O3/c1-10(16)11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)18/h2-9H,1H3,(H,17,18)

InChIKey

UTXIAQYSGYZOOP-UHFFFAOYSA-N

Compound name

2-(3-acetylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.07864 Da
Monoisotopic Mass: 2.6
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]+	241.08592	152.9
[M+Na]+	263.06786	166.9
[M+NH4]+	258.11246	160.6
[M+K]+	279.04180	160.7
[M-H]-	239.07136	156.3
[M+Na-2H]-	261.05331	161.2
[M]+	240.07809	155.8
[M]-	240.07919	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe