CID 8651

Benzil

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

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

InChI

InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H

InChIKey

WURBFLDFSFBTLW-UHFFFAOYSA-N

Compound name

1,2-diphenylethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 201
References: 58596
Patents: 210.06808 Da
Monoisotopic Mass: 3.4
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]+	211.07536	144.5
[M+Na]+	233.05730	151.1
[M-H]-	209.06080	151.1
[M+NH4]+	228.10190	162.5
[M+K]+	249.03124	148.1
[M+H-H2O]+	193.06534	137.3
[M+HCOO]-	255.06628	167.8
[M+CH3COO]-	269.08193	186.2
[M+Na-2H]-	231.04275	150.2
[M]+	210.06753	143.8
[M]-	210.06863	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe