CID 55280572

4-chloro-3-hydroxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₄Cl₂O₃S

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)O)Cl

InChI

InChI=1S/C6H4Cl2O3S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3,9H

InChIKey

FBMAZMGBUJFHDI-UHFFFAOYSA-N

Compound name

4-chloro-3-hydroxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 225.92583 Da
Monoisotopic Mass: 2.5
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]+	226.93311	142.5
[M+Na]+	248.91505	156.1
[M+NH4]+	243.95965	150.8
[M+K]+	264.88899	148.3
[M-H]-	224.91855	142.9
[M+Na-2H]-	246.90050	148.1
[M]+	225.92528	145.6
[M]-	225.92638	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe