CID 151414

O,o-dimethyl s-ethyl phosphorothioate

Structural Information

Molecular Formula

C₄H₁₁O₃PS

SMILES

CCSP(=O)(OC)OC

InChI

InChI=1S/C4H11O3PS/c1-4-9-8(5,6-2)7-3/h4H2,1-3H3

InChIKey

KEVXARPBRXTLQG-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 170.01665 Da
Monoisotopic Mass: 0.4
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]+	171.023926	133.0
[M+Na]+	193.005868	141.0
[M-H]-	169.009374	132.7
[M+NH4]+	188.050473	154.7
[M+K]+	208.979808	141.2
[M+H-H2O]+	153.013910	126.1
[M+HCOO]-	215.014851	156.9
[M+CH3COO]-	229.030501	177.4
[M+Na-2H]-	190.991316	135.0
[M]+	170.01610142	140.1
[M]-	170.01719858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe