CID 222918

5836-54-4

Structural Information

Molecular Formula

C₇H₇Cl₂NO₂S

SMILES

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

InChI

InChI=1S/C7H7Cl2NO2S/c1-10-13(11,12)5-2-3-6(8)7(9)4-5/h2-4,10H,1H3

InChIKey

HRRNFMGIBBKSTL-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 238.95746 Da
Monoisotopic Mass: 2.4
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]+	239.96474	143.3
[M+Na]+	261.94668	154.1
[M-H]-	237.95018	147.6
[M+NH4]+	256.99128	162.9
[M+K]+	277.92062	148.6
[M+H-H2O]+	221.95472	140.0
[M+HCOO]-	283.95566	153.7
[M+CH3COO]-	297.97131	187.5
[M+Na-2H]-	259.93213	147.6
[M]+	238.95691	148.2
[M]-	238.95801	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.