CID 14537

Tetrachlorocatechol

Structural Information

Molecular Formula

C₆H₂Cl₄O₂

SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O

InChI

InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

InChIKey

RRBMVWQICIXSEO-UHFFFAOYSA-N

Compound name

3,4,5,6-tetrachlorobenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 34
References: 328
Patents: 245.88089 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]+	246.88817	143.5
[M+Na]+	268.87011	158.6
[M+NH4]+	263.91471	151.8
[M+K]+	284.84405	151.4
[M-H]-	244.87361	144.1
[M+Na-2H]-	266.85556	149.1
[M]+	245.88034	147.0
[M]-	245.88144	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe