CID 2734199

N-(4-cyanophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKey
BRDHOCVMWSXEHI-UHFFFAOYSA-N
Compound name
N-(4-cyanophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

196.03065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 148.3
[M+Na]+ 219.01987 158.9
[M-H]- 195.02337 152.6
[M+NH4]+ 214.06447 166.1
[M+K]+ 234.99381 156.1
[M+H-H2O]+ 179.02791 136.2
[M+HCOO]- 241.02885 164.5
[M+CH3COO]- 255.04450 194.2
[M+Na-2H]- 217.00532 152.9
[M]+ 196.03010 145.1
[M]- 196.03120 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe