CID 233097

3,4-dichlorobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂S

SMILES

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

InChI

InChI=1S/C6H5Cl2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey

ILLSOONBCBUBOD-UHFFFAOYSA-N

Compound name

3,4-dichlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 187
Patents: 224.9418 Da
Monoisotopic Mass: 2.0
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]+	225.94908	143.6
[M+Na]+	247.93102	156.6
[M+NH4]+	242.97562	152.2
[M+K]+	263.90496	148.6
[M-H]-	223.93452	145.1
[M+Na-2H]-	245.91647	149.5
[M]+	224.94125	146.9
[M]-	224.94235	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe