CID 192833

Diphenylene dioxide 2,3-quinone

Structural Information

Molecular Formula

C₁₂H₆O₄

SMILES

C1=CC=C2C(=C1)OC3=CC(=O)C(=O)C=C3O2

InChI

InChI=1S/C12H6O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H

InChIKey

OEZWQQMRIGCJRU-UHFFFAOYSA-N

Compound name

dibenzo-p-dioxin-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 214.02661 Da
Monoisotopic Mass: 0.9
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]+	215.03389	138.1
[M+Na]+	237.01583	155.6
[M+NH4]+	232.06043	147.5
[M+K]+	252.98977	148.8
[M-H]-	213.01933	144.3
[M+Na-2H]-	235.00128	145.6
[M]+	214.02606	142.6
[M]-	214.02716	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe