CID 161397

Ethion dioxon

Structural Information

Molecular Formula

C₉H₂₂O₆P₂S₂

SMILES

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

InChI

InChI=1S/C9H22O6P2S2/c1-5-12-16(10,13-6-2)18-9-19-17(11,14-7-3)15-8-4/h5-9H2,1-4H3

InChIKey

SSEJHKWNPGJOSI-UHFFFAOYSA-N

Compound name

1-[diethoxyphosphorylsulfanylmethylsulfanyl(ethoxy)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 352.0333 Da
Monoisotopic Mass: 1.6
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]+	353.04058	172.7
[M+Na]+	375.02252	176.9
[M-H]-	351.02602	169.8
[M+NH4]+	370.06712	192.1
[M+K]+	390.99646	175.6
[M+H-H2O]+	335.03056	161.3
[M+HCOO]-	397.03150	194.9
[M+CH3COO]-	411.04715	209.5
[M+Na-2H]-	373.00797	171.3
[M]+	352.03275	185.3
[M]-	352.03385	185.3

Literature stripe

literature stripe

Patent stripe

patents stripe