CID 697873

2-cyano-n,n-dimethylbenzenesulfonamide

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

CN(C)S(=O)(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C9H10N2O2S/c1-11(2)14(12,13)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3

InChIKey

HDKMCORZIWAQDA-UHFFFAOYSA-N

Compound name

2-cyano-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 41
Patents: 210.0463 Da
Monoisotopic Mass: 0.8
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]+	211.05358	142.5
[M+Na]+	233.03552	153.0
[M+NH4]+	228.08012	146.9
[M+K]+	249.00946	143.7
[M-H]-	209.03902	137.0
[M+Na-2H]-	231.02097	146.2
[M]+	210.04575	142.0
[M]-	210.04685	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe