CID 226136

2-oxo-2-(4-phenylphenyl)acetic acid

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

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

InChI

InChI=1S/C14H10O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,17)

InChIKey

DRFCZRDAUHIVIG-UHFFFAOYSA-N

Compound name

2-oxo-2-(4-phenylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 226.06299 Da
Monoisotopic Mass: 3.0
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]+	227.070266	147.7
[M+Na]+	249.052208	154.6
[M-H]-	225.055714	153.2
[M+NH4]+	244.096813	164.5
[M+K]+	265.026148	151.4
[M+H-H2O]+	209.060250	140.7
[M+HCOO]-	271.061191	169.6
[M+CH3COO]-	285.076841	186.8
[M+Na-2H]-	247.037656	152.2
[M]+	226.06244142	146.9
[M]-	226.06353858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe