CID 826278

20628-27-7

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

CC(=O)NC1=CC=CC=C1S(=O)(=O)C

InChI

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

InChIKey

NGWCPCSZLLJKPD-UHFFFAOYSA-N

Compound name

N-(2-methylsulfonylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 213.04596 Da
Monoisotopic Mass: 0.6
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	143.0
[M+Na]+	236.03518	151.2
[M-H]-	212.03868	147.2
[M+NH4]+	231.07978	161.9
[M+K]+	252.00912	148.7
[M+H-H2O]+	196.04322	137.2
[M+HCOO]-	258.04416	161.8
[M+CH3COO]-	272.05981	185.2
[M+Na-2H]-	234.02063	147.3
[M]+	213.04541	145.6
[M]-	213.04651	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe