CID 74891368

5-[4-(methylsulfonamido)phenyl]-2h-tetrazole

Structural Information

Molecular Formula
C8H9N5O2S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=NNN=N2
InChI
InChI=1S/C8H9N5O2S/c1-16(14,15)11-7-4-2-6(3-5-7)8-9-12-13-10-8/h2-5,11H,1H3,(H,9,10,12,13)
InChIKey
XRVKANXVOQNJPL-UHFFFAOYSA-N
Compound name
N-[4-(2H-tetrazol-5-yl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0477 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05498 150.4
[M+Na]+ 262.03692 160.6
[M-H]- 238.04042 151.8
[M+NH4]+ 257.08152 164.0
[M+K]+ 278.01086 156.0
[M+H-H2O]+ 222.04496 142.4
[M+HCOO]- 284.04590 166.1
[M+CH3COO]- 298.06155 185.4
[M+Na-2H]- 260.02237 155.8
[M]+ 239.04715 151.1
[M]- 239.04825 151.1
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.