CID 201433

Prothion

Structural Information

Molecular Formula

C₉H₁₉O₄PS₂

SMILES

CCOC(=O)CCSP(=S)(OCC)OCC

InChI

InChI=1S/C9H19O4PS2/c1-4-11-9(10)7-8-16-14(15,12-5-2)13-6-3/h4-8H2,1-3H3

InChIKey

OOMMKEMDOOWEHJ-UHFFFAOYSA-N

Compound name

ethyl 3-diethoxyphosphinothioylsulfanylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 184
Patents: 286.04623 Da
Monoisotopic Mass: 2.6
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]+	287.053506	160.8
[M+Na]+	309.035448	165.8
[M-H]-	285.038954	159.1
[M+NH4]+	304.080053	177.5
[M+K]+	325.009388	163.4
[M+H-H2O]+	269.043490	152.2
[M+HCOO]-	331.044431	176.9
[M+CH3COO]-	345.060081	198.1
[M+Na-2H]-	307.020896	157.9
[M]+	286.04568142	169.8
[M]-	286.04677858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe