CID 12619797

70958-70-2

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)N

InChI

InChI=1S/C9H11NO3S/c1-6-3-4-8(7(2)11)5-9(6)14(10,12)13/h3-5H,1-2H3,(H2,10,12,13)

InChIKey

FOBJXKVZKYRFOO-UHFFFAOYSA-N

Compound name

5-acetyl-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 213.04596 Da
Monoisotopic Mass: 0.5
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]+	214.05324	145.2
[M+Na]+	236.03518	155.6
[M+NH4]+	231.07978	152.1
[M+K]+	252.00912	149.9
[M-H]-	212.03868	145.8
[M+Na-2H]-	234.02063	149.7
[M]+	213.04541	147.1
[M]-	213.04651	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe