CID 43363702

1099632-71-9

Structural Information

Molecular Formula
C9H10N4O2S
SMILES
C1=CC(=CC=C1CN2C=NC=N2)S(=O)(=O)N
InChI
InChI=1S/C9H10N4O2S/c10-16(14,15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H2,10,14,15)
InChIKey
FWZBTYAIDBGHFJ-UHFFFAOYSA-N
Compound name
4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05244 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05972 150.4
[M+Na]+ 261.04166 160.6
[M-H]- 237.04516 153.8
[M+NH4]+ 256.08626 165.9
[M+K]+ 277.01560 156.5
[M+H-H2O]+ 221.04970 142.5
[M+HCOO]- 283.05064 167.9
[M+CH3COO]- 297.06629 187.2
[M+Na-2H]- 259.02711 154.8
[M]+ 238.05189 151.9
[M]- 238.05299 151.9
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

No patent data available for this compound.