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: 26
Patents: 196.03065 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.03793	138.5
[M+Na]+	219.01987	149.1
[M+NH4]+	214.06447	142.7
[M+K]+	234.99381	140.0
[M-H]-	195.02337	132.6
[M+Na-2H]-	217.00532	141.6
[M]+	196.03010	137.9
[M]-	196.03120	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe