CID 12771

2,6-dichloro-1,4-benzoquinone

Structural Information

Molecular Formula

C₆H₂Cl₂O₂

SMILES

C1=C(C(=O)C(=CC1=O)Cl)Cl

InChI

InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

InChIKey

JCARTGJGWCGSSU-UHFFFAOYSA-N

Compound name

2,6-dichlorocyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 58
References: 2207
Patents: 175.94319 Da
Monoisotopic Mass: 1.7
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]+	176.95047	126.1
[M+Na]+	198.93241	141.4
[M+NH4]+	193.97701	135.4
[M+K]+	214.90635	134.2
[M-H]-	174.93591	128.0
[M+Na-2H]-	196.91786	133.3
[M]+	175.94264	129.4
[M]-	175.94374	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe