CID 10563242

Dithiophosphoric acid diethyl ester

Structural Information

Molecular Formula

C₄H₁₁O₂PS₂

SMILES

CCOP(=S)(O)SCC

InChI

InChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)

InChIKey

OILHDBLLQZLFFI-UHFFFAOYSA-N

Compound name

ethoxy-ethylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 548
Patents: 185.9938 Da
Monoisotopic Mass: 1.8
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]+	187.001076	134.1
[M+Na]+	208.983018	141.2
[M-H]-	184.986524	132.0
[M+NH4]+	204.027623	154.3
[M+K]+	224.956958	138.3
[M+H-H2O]+	168.991060	126.9
[M+HCOO]-	230.992001	150.6
[M+CH3COO]-	245.007651	177.7
[M+Na-2H]-	206.968466	133.1
[M]+	185.99325142	138.0
[M]-	185.99434858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe