CID 14763059

99-46-7

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CCC1=CC(=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C8H11NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

InChIKey

IDAXFFOLDRMEAO-UHFFFAOYSA-N

Compound name

3-ethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 185.05106 Da
Monoisotopic Mass: 1.3
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]+	186.05834	138.2
[M+Na]+	208.04028	149.3
[M+NH4]+	203.08488	146.2
[M+K]+	224.01422	142.2
[M-H]-	184.04378	139.7
[M+Na-2H]-	206.02573	144.0
[M]+	185.05051	140.6
[M]-	185.05161	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe