CID 85776621

292823-28-0

Structural Information

Molecular Formula

C₆H₂Cl₄O₃S

SMILES

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

InChI

InChI=1S/C6H2Cl4O3S/c7-2-1-3(8)5(11)6(4(2)9)14(10,12)13/h1,11H

InChIKey

DHRVZHRSNZSODS-UHFFFAOYSA-N

Compound name

2,3,5-trichloro-6-hydroxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.84787 Da
Monoisotopic Mass: 4.4
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]+	294.85515	147.5
[M+Na]+	316.83709	159.2
[M-H]-	292.84059	148.9
[M+NH4]+	311.88169	164.3
[M+K]+	332.81103	153.5
[M+H-H2O]+	276.84513	147.0
[M+HCOO]-	338.84607	145.4
[M+CH3COO]-	352.86172	193.3
[M+Na-2H]-	314.82254	148.4
[M]+	293.84732	151.8
[M]-	293.84842	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe