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

146
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

literature stripe

Patent stripe

patents stripe