CID 152293

Diethyl s-n-propyl phosphorothiolate

Structural Information

Molecular Formula

C₇H₁₇O₃PS

SMILES

CCCSP(=O)(OCC)OCC

InChI

InChI=1S/C7H17O3PS/c1-4-7-12-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

InChIKey

WPRUJVAQCWMXQM-UHFFFAOYSA-N

Compound name

1-diethoxyphosphorylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 212.0636 Da
Monoisotopic Mass: 1.9
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]+	213.07088	146.9
[M+Na]+	235.05282	153.7
[M-H]-	211.05632	146.1
[M+NH4]+	230.09742	167.0
[M+K]+	251.02676	153.1
[M+H-H2O]+	195.06086	139.5
[M+HCOO]-	257.06180	169.9
[M+CH3COO]-	271.07745	186.5
[M+Na-2H]-	233.03827	147.5
[M]+	212.06305	155.2
[M]-	212.06415	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe