CID 23439154

2-(4-methylphenyl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CC1=CC=C(C=C1)CCS(=O)(=O)N

InChI

InChI=1S/C9H13NO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)

InChIKey

GIAHBOGFOFDTAM-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 428
Patents: 199.0667 Da
Monoisotopic Mass: 1.2
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]+	200.07398	142.5
[M+Na]+	222.05592	153.4
[M+NH4]+	217.10052	150.4
[M+K]+	238.02986	146.1
[M-H]-	198.05942	144.0
[M+Na-2H]-	220.04137	148.1
[M]+	199.06615	144.9
[M]-	199.06725	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe