CID 113812

63717-18-0

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]+ 400.95342 166.3
[M+Na]+ 422.93536 170.2
[M+NH4]+ 417.97996 171.2
[M+K]+ 438.90930 163.8
[M-H]- 398.93886 166.4
[M+Na-2H]- 420.92081 164.6
[M]+ 399.94559 168.2
[M]- 399.94669 168.2
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.