CID 113812

S,s'-1,4-dioxane-2,3-diyl o,o,o',o'-tetramethyl bis(phosphorodithioate)

Structural Information

Molecular Formula
C8H18O6P2S4
SMILES
COP(=S)(OC)SC1C(OCCO1)SP(=S)(OC)OC
InChI
InChI=1S/C8H18O6P2S4/c1-9-15(17,10-2)19-7-8(14-6-5-13-7)20-16(18,11-3)12-4/h7-8H,5-6H2,1-4H3
InChIKey
KWTKYUMSKMZZLF-UHFFFAOYSA-N
Compound name
(3-dimethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.94614 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.953416 175.9
[M+Na]+ 422.935358 178.4
[M-H]- 398.938864 174.9
[M+NH4]+ 417.979963 184.5
[M+K]+ 438.909298 174.8
[M+H-H2O]+ 382.943400 163.8
[M+HCOO]- 444.944341 185.0
[M+CH3COO]- 458.959991 214.9
[M+Na-2H]- 420.920806 176.2
[M]+ 399.94559142 176.8
[M]- 399.94668858 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.