CID 104164

52345-47-8

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

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

InChI

InChI=1S/C9H11NO3S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)

InChIKey

ACGVKXZPAUDGMM-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)sulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 69
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	145.0
[M+Na]+	236.03518	155.1
[M+NH4]+	231.07978	151.9
[M+K]+	252.00912	149.1
[M-H]-	212.03868	145.5
[M+Na-2H]-	234.02063	149.7
[M]+	213.04541	146.8
[M]-	213.04651	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe