CID 520177

O,s-diethyl methylphosphonothioate

Structural Information

Molecular Formula

C₅H₁₃O₂PS

SMILES

CCOP(=O)(C)SCC

InChI

InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3

InChIKey

AIMOGGQLCCAPQJ-UHFFFAOYSA-N

Compound name

1-[ethylsulfanyl(methyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 40
Patents: 168.03738 Da
Monoisotopic Mass: 0.8
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]+	169.04466	134.6
[M+Na]+	191.02660	142.4
[M-H]-	167.03010	134.3
[M+NH4]+	186.07120	156.6
[M+K]+	207.00054	141.9
[M+H-H2O]+	151.03464	127.9
[M+HCOO]-	213.03558	158.0
[M+CH3COO]-	227.05123	178.5
[M+Na-2H]-	189.01205	135.9
[M]+	168.03683	140.8
[M]-	168.03793	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe