CID 705607

3,5-dichlorobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂S

SMILES

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

InChI

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

InChIKey

AHNOVNYOUPQVRX-UHFFFAOYSA-N

Compound name

3,5-dichlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 224.9418 Da
Monoisotopic Mass: 1.7
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	139.2
[M+Na]+	247.93102	150.4
[M-H]-	223.93452	143.1
[M+NH4]+	242.97562	159.0
[M+K]+	263.90496	144.8
[M+H-H2O]+	207.93906	136.2
[M+HCOO]-	269.94000	149.3
[M+CH3COO]-	283.95565	183.9
[M+Na-2H]-	245.91647	143.0
[M]+	224.94125	142.8
[M]-	224.94235	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe