CID 25672010

N-(3-cyanophenyl)sulfamide

Structural Information

Molecular Formula
C7H7N3O2S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)N)C#N
InChI
InChI=1S/C7H7N3O2S/c8-5-6-2-1-3-7(4-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12)
InChIKey
LUTLSZGLFSAVND-UHFFFAOYSA-N
Compound name
1-cyano-3-(sulfamoylamino)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03318 140.2
[M+Na]+ 220.01512 149.3
[M+NH4]+ 215.05972 143.9
[M+K]+ 235.98906 140.5
[M-H]- 196.01862 134.4
[M+Na-2H]- 218.00057 143.2
[M]+ 197.02535 139.2
[M]- 197.02645 139.2
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.