CID 76566

4-cyanobenzenesulfonamide

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
C1=CC(=CC=C1C#N)S(=O)(=O)N
InChI
InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChIKey
UZECCNDOASGYNH-UHFFFAOYSA-N
Compound name
4-cyanobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

538
Patents

182.015 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.022276 145.2
[M+Na]+ 205.004218 156.2
[M-H]- 181.007724 149.2
[M+NH4]+ 200.048823 163.2
[M+K]+ 220.978158 153.4
[M+H-H2O]+ 165.012260 133.3
[M+HCOO]- 227.013201 161.1
[M+CH3COO]- 241.028851 190.9
[M+Na-2H]- 202.989666 149.3
[M]+ 182.01445142 140.8
[M]- 182.01554858 140.8
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