CID 25672010

N-(3-cyanophenyl)aminosulfonamide

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 149.2
[M+Na]+ 220.01512 159.1
[M-H]- 196.01862 152.8
[M+NH4]+ 215.05972 166.1
[M+K]+ 235.98906 156.4
[M+H-H2O]+ 180.02316 136.7
[M+HCOO]- 242.02410 165.7
[M+CH3COO]- 256.03975 195.5
[M+Na-2H]- 218.00057 153.5
[M]+ 197.02535 143.9
[M]- 197.02645 143.9
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.