CID 3286

Ethion

Structural Information

Molecular Formula

C₉H₂₂O₄P₂S₄

SMILES

CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

InChI

InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

InChIKey

RIZMRRKBZQXFOY-UHFFFAOYSA-N

Compound name

diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 73
References: 37934
Patents: 383.9876 Da
Monoisotopic Mass: 5.1
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]+	384.99488	175.0
[M+Na]+	406.97682	177.8
[M-H]-	382.98032	170.0
[M+NH4]+	402.02142	186.6
[M+K]+	422.95076	170.6
[M+H-H2O]+	366.98486	162.0
[M+HCOO]-	428.98580	185.3
[M+CH3COO]-	443.00145	215.5
[M+Na-2H]-	404.96227	172.1
[M]+	383.98705	179.2
[M]-	383.98815	179.2

Literature stripe

literature stripe

Patent stripe

patents stripe