CID 21893541

N-(2-oxo-2-phenylethyl)methanesulfonamide

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

CS(=O)(=O)NCC(=O)C1=CC=CC=C1

InChI

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

InChIKey

MLZXNAIRHOPDTJ-UHFFFAOYSA-N

Compound name

N-phenacylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 213.04596 Da
Monoisotopic Mass: 0.7
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]+	214.053236	143.5
[M+Na]+	236.035178	150.8
[M-H]-	212.038684	147.3
[M+NH4]+	231.079783	162.0
[M+K]+	252.009118	148.2
[M+H-H2O]+	196.043220	137.4
[M+HCOO]-	258.044161	162.3
[M+CH3COO]-	272.059811	184.7
[M+Na-2H]-	234.020626	148.4
[M]+	213.04541142	145.8
[M]-	213.04650858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe