CID 202878

P-tolylsulfamoyl azide

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)N=[N+]=[N-]
InChI
InChI=1S/C7H8N4O2S/c1-6-2-4-7(5-3-6)9-14(12,13)11-10-8/h2-5,9H,1H3
InChIKey
GDDGQFCLYKJCOZ-UHFFFAOYSA-N
Compound name
1-(azidosulfonylamino)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.0368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 138.3
[M+Na]+ 235.02602 145.6
[M-H]- 211.02952 144.9
[M+NH4]+ 230.07062 156.9
[M+K]+ 250.99996 138.4
[M+H-H2O]+ 195.03406 135.6
[M+HCOO]- 257.03500 164.7
[M+CH3COO]- 271.05065 187.3
[M+Na-2H]- 233.01147 148.8
[M]+ 212.03625 137.1
[M]- 212.03735 137.1
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.