CID 17561991

3-cyano-n-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C8H8N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h2-5,10H,1H3

InChIKey

ZFSSELQTDZWFDQ-UHFFFAOYSA-N

Compound name

3-cyano-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 196.03065 Da
Monoisotopic Mass: 0.7
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	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe