CID 21797096

4h-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
5
Annotation Hits

0
References

86
Patents

148.0055 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.012776 126.2
[M+Na]+ 170.994718 136.5
[M-H]- 146.998224 125.1
[M+NH4]+ 166.039323 144.5
[M+K]+ 186.968658 134.0
[M+H-H2O]+ 131.002760 119.8
[M+HCOO]- 193.003701 142.8
[M+CH3COO]- 207.019351 166.8
[M+Na-2H]- 168.980166 131.4
[M]+ 148.00495142 125.2
[M]- 148.00604858 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe