CID 2064042

68793-19-1

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC

InChI

InChI=1S/C9H11NO3S/c1-7(11)8-3-5-9(6-4-8)14(12,13)10-2/h3-6,10H,1-2H3

InChIKey

JAYNQWDHBPWEMB-UHFFFAOYSA-N

Compound name

4-acetyl-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 213.04596 Da
Monoisotopic Mass: 1.0
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]+	214.05324	145.0
[M+Na]+	236.03518	155.4
[M+NH4]+	231.07978	152.1
[M+K]+	252.00912	149.2
[M-H]-	212.03868	145.7
[M+Na-2H]-	234.02063	150.2
[M]+	213.04541	147.0
[M]-	213.04651	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe