CID 6719

Diphacinone

Structural Information

Molecular Formula

C₂₃H₁₆O₃

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H

InChIKey

JYGLAHSAISAEAL-UHFFFAOYSA-N

Compound name

2-(2,2-diphenylacetyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 88
References: 9723
Patents: 340.10995 Da
Monoisotopic Mass: 3.7
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]+	341.117226	180.5
[M+Na]+	363.099168	187.2
[M-H]-	339.102674	191.1
[M+NH4]+	358.143773	195.7
[M+K]+	379.073108	181.6
[M+H-H2O]+	323.107210	171.9
[M+HCOO]-	385.108151	201.2
[M+CH3COO]-	399.123801	191.5
[M+Na-2H]-	361.084616	180.7
[M]+	340.10940142	180.0
[M]-	340.11049858	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe