CID 92261

Tetrachlororesorcinol

Structural Information

Molecular Formula

C₆H₂Cl₄O₂

SMILES

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

InChI

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

InChIKey

SBQZVLLSNGZXLX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 245.88089 Da
Monoisotopic Mass: 4.1
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	138.2
[M+Na]+	268.87011	150.5
[M-H]-	244.87361	137.4
[M+NH4]+	263.91471	156.0
[M+K]+	284.84405	144.4
[M+H-H2O]+	228.87815	137.7
[M+HCOO]-	290.87909	140.5
[M+CH3COO]-	304.89474	187.9
[M+Na-2H]-	266.85556	140.1
[M]+	245.88034	139.9
[M]-	245.88144	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe