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]+ 198.033176 149.2
[M+Na]+ 220.015118 159.1
[M-H]- 196.018624 152.8
[M+NH4]+ 215.059723 166.1
[M+K]+ 235.989058 156.4
[M+H-H2O]+ 180.023160 136.7
[M+HCOO]- 242.024101 165.7
[M+CH3COO]- 256.039751 195.5
[M+Na-2H]- 218.000566 153.5
[M]+ 197.02535142 143.9
[M]- 197.02644858 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.