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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 143.5
[M+Na]+ 236.03518 150.8
[M-H]- 212.03868 147.3
[M+NH4]+ 231.07978 162.0
[M+K]+ 252.00912 148.2
[M+H-H2O]+ 196.04322 137.4
[M+HCOO]- 258.04416 162.3
[M+CH3COO]- 272.05981 184.7
[M+Na-2H]- 234.02063 148.4
[M]+ 213.04541 145.8
[M]- 213.04651 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.