CID 14364

4-biphenylglyoxal hydrate

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

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

InChI

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

InChIKey

DNYMAUICCMLWCF-UHFFFAOYSA-N

Compound name

2,2-dihydroxy-1-(4-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 228.07864 Da
Monoisotopic Mass: 2.0
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]+	229.08592	150.4
[M+Na]+	251.06786	163.6
[M+NH4]+	246.11246	158.1
[M+K]+	267.04180	157.7
[M-H]-	227.07136	153.4
[M+Na-2H]-	249.05331	158.5
[M]+	228.07809	153.0
[M]-	228.07919	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe