CID 76395

1,4-dibenzoylbenzene

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H

InChIKey

NPENBPVOAXERED-UHFFFAOYSA-N

Compound name

(4-benzoylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1773
Patents: 286.09937 Da
Monoisotopic Mass: 4.8
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]+	287.106646	166.3
[M+Na]+	309.088588	172.3
[M-H]-	285.092094	175.6
[M+NH4]+	304.133193	180.6
[M+K]+	325.062528	167.3
[M+H-H2O]+	269.096630	157.2
[M+HCOO]-	331.097571	188.6
[M+CH3COO]-	345.113221	177.7
[M+Na-2H]-	307.074036	170.3
[M]+	286.09882142	165.1
[M]-	286.09991858	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe