CID 2735994

13432-81-0

Structural Information

Molecular Formula

C₆H₃Cl₃O₃S

SMILES

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

InChI

InChI=1S/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H

InChIKey

AELFLPJWVRGXKU-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-hydroxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 259.88684 Da
Monoisotopic Mass: 3.1
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]+	260.89412	141.3
[M+Na]+	282.87606	153.3
[M-H]-	258.87956	144.0
[M+NH4]+	277.92066	159.9
[M+K]+	298.85000	147.4
[M+H-H2O]+	242.88410	140.0
[M+HCOO]-	304.88504	144.7
[M+CH3COO]-	318.90069	186.1
[M+Na-2H]-	280.86151	144.2
[M]+	259.88629	146.5
[M]-	259.88739	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe