CID 2316579

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

Structural Information

Molecular Formula
C7H7N5O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)N2C=NN=N2
InChI
InChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-2-6(4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChIKey
KKCJRXVQNYBUFW-UHFFFAOYSA-N
Compound name
3-(tetrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

225.03204 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03932 146.2
[M+Na]+ 248.02126 157.3
[M-H]- 224.02476 148.6
[M+NH4]+ 243.06586 160.8
[M+K]+ 263.99520 153.4
[M+H-H2O]+ 208.02930 138.1
[M+HCOO]- 270.03024 163.0
[M+CH3COO]- 284.04589 184.2
[M+Na-2H]- 246.00671 151.4
[M]+ 225.03149 147.4
[M]- 225.03259 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

literature stripe

Patent stripe

patents stripe