CID 197956

Ethion monoxon

Structural Information

Molecular Formula

C₉H₂₂O₅P₂S₃

SMILES

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

InChI

InChI=1S/C9H22O5P2S3/c1-5-11-15(10,12-6-2)18-9-19-16(17,13-7-3)14-8-4/h5-9H2,1-4H3

InChIKey

QPNPEPLJFIUWDM-UHFFFAOYSA-N

Compound name

diethoxyphosphorylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3
Patents: 368.01047 Da
Monoisotopic Mass: 3.3
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]+	369.01775	172.6
[M+Na]+	390.99969	176.1
[M-H]-	367.00319	168.9
[M+NH4]+	386.04429	185.8
[M+K]+	406.97363	172.0
[M+H-H2O]+	351.00773	160.4
[M+HCOO]-	413.00867	189.0
[M+CH3COO]-	427.02432	212.3
[M+Na-2H]-	388.98514	170.1
[M]+	368.00992	181.7
[M]-	368.01102	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe