CID 6463

Benzilic acid

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

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

InChI

InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)

InChIKey

UKXSKSHDVLQNKG-UHFFFAOYSA-N

Compound name

2-hydroxy-2,2-diphenylacetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 36
References: 9827
Patents: 228.07864 Da
Monoisotopic Mass: 2.3
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]+	229.08592	150.5
[M+Na]+	251.06786	163.4
[M+NH4]+	246.11246	158.2
[M+K]+	267.04180	157.8
[M-H]-	227.07136	153.1
[M+Na-2H]-	249.05331	159.2
[M]+	228.07809	153.1
[M]-	228.07919	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe