CID 1239248

4-(1h-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C7H7N5O2S
SMILES
C1=CC(=CC=C1N2C=NN=N2)S(=O)(=O)N
InChI
InChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-6(2-4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChIKey
NUCIGEAEJHYEGD-UHFFFAOYSA-N
Compound name
4-(tetrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

225.03204 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.039316 146.2
[M+Na]+ 248.021258 157.3
[M-H]- 224.024764 148.6
[M+NH4]+ 243.065863 160.8
[M+K]+ 263.995198 153.4
[M+H-H2O]+ 208.029300 138.1
[M+HCOO]- 270.030241 163.0
[M+CH3COO]- 284.045891 184.2
[M+Na-2H]- 246.006706 151.4
[M]+ 225.03149142 147.4
[M]- 225.03258858 147.4
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