CID 7131562

(4-cyanophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)N)C#N
InChI
InChI=1S/C8H8N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)
InChIKey
SZJRAEXJNGIIDT-UHFFFAOYSA-N
Compound name
(4-cyanophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

196.03065 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 149.1
[M+Na]+ 219.019868 159.7
[M-H]- 195.023374 152.8
[M+NH4]+ 214.064473 166.5
[M+K]+ 234.993808 156.6
[M+H-H2O]+ 179.027910 137.0
[M+HCOO]- 241.028851 164.6
[M+CH3COO]- 255.044501 193.6
[M+Na-2H]- 217.005316 152.7
[M]+ 196.03010142 144.9
[M]- 196.03119858 144.9
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

patents stripe