CID 61727648

4-cyano-2-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CC1=C(C=CC(=C1)C#N)S(=O)(=O)N
InChI
InChI=1S/C8H8N2O2S/c1-6-4-7(5-9)2-3-8(6)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChIKey
ZPBWQJVJQZCWLG-UHFFFAOYSA-N
Compound name
4-cyano-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

196.03065 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 148.7
[M+Na]+ 219.019868 160.0
[M-H]- 195.023374 152.8
[M+NH4]+ 214.064473 166.4
[M+K]+ 234.993808 157.0
[M+H-H2O]+ 179.027910 136.8
[M+HCOO]- 241.028851 164.2
[M+CH3COO]- 255.044501 194.7
[M+Na-2H]- 217.005316 151.7
[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