CID 257467

N-allylbenzenesulfonamide

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C=CCNS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H11NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h2-7,10H,1,8H2

InChIKey

AUSDMZUIKMAAEN-UHFFFAOYSA-N

Compound name

N-prop-2-enylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 198
Patents: 197.05106 Da
Monoisotopic Mass: 1.5
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]+	198.05834	142.0
[M+Na]+	220.04028	152.9
[M+NH4]+	215.08488	149.8
[M+K]+	236.01422	145.1
[M-H]-	196.04378	143.4
[M+Na-2H]-	218.02573	148.1
[M]+	197.05051	144.3
[M]-	197.05161	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe