CID 19894846

42480-70-6

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O₂S

SMILES

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

InChI

InChI=1S/C6H6Cl2N2O2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H2,10,11,12)

InChIKey

LOUBHADNEPMWMA-UHFFFAOYSA-N

Compound name

4-amino-2,5-dichlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 239.9527 Da
Monoisotopic Mass: 1.1
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]+	240.95998	144.3
[M+Na]+	262.94192	155.3
[M-H]-	238.94542	147.8
[M+NH4]+	257.98652	163.1
[M+K]+	278.91586	149.3
[M+H-H2O]+	222.94996	141.2
[M+HCOO]-	284.95090	154.7
[M+CH3COO]-	298.96655	189.5
[M+Na-2H]-	260.92737	146.8
[M]+	239.95215	146.5
[M]-	239.95325	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe