CID 199762

1h-1,2,4-triazole, 5-(p-sulfamoylphenyl)-

Structural Information

Molecular Formula
C8H8N4O2S
SMILES
C1=CC(=CC=C1C2=NC=NN2)S(=O)(=O)N
InChI
InChI=1S/C8H8N4O2S/c9-15(13,14)7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H2,9,13,14)(H,10,11,12)
InChIKey
FQAHYLJIQSNCSE-UHFFFAOYSA-N
Compound name
4-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

224.0368 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.044076 146.2
[M+Na]+ 247.026018 156.4
[M-H]- 223.029524 148.4
[M+NH4]+ 242.070623 161.6
[M+K]+ 262.999958 151.6
[M+H-H2O]+ 207.034060 138.9
[M+HCOO]- 269.035001 162.6
[M+CH3COO]- 283.050651 181.8
[M+Na-2H]- 245.011466 150.7
[M]+ 224.03625142 145.5
[M]- 224.03734858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe