CID 21797096

1h-1,2,4-triazole-3-sulfonamide

Structural Information

Molecular Formula

C₂H₄N₄O₂S

SMILES

C1=NNC(=N1)S(=O)(=O)N

InChI

InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)

InChIKey

WXJWETDFIWKUHH-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 75
Patents: 148.0055 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]+	149.01278	126.6
[M+Na]+	170.99472	135.2
[M+NH4]+	166.03932	132.3
[M+K]+	186.96866	132.7
[M-H]-	146.99822	124.2
[M+Na-2H]-	168.98017	130.0
[M]+	148.00495	127.1
[M]-	148.00605	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe