CID 237296

596-29-2

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

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

InChIKey

WUBNJKMFYXGQDB-UHFFFAOYSA-N

Compound name

3,3-diphenyl-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 378
Patents: 286.09937 Da
Monoisotopic Mass: 4.3
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]+	287.106646	166.0
[M+Na]+	309.088588	175.0
[M-H]-	285.092094	177.7
[M+NH4]+	304.133193	184.5
[M+K]+	325.062528	170.5
[M+H-H2O]+	269.096630	157.8
[M+HCOO]-	331.097571	188.5
[M+CH3COO]-	345.113221	178.9
[M+Na-2H]-	307.074036	172.3
[M]+	286.09882142	166.3
[M]-	286.09991858	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe