CID 6531

Dioxathion

Structural Information

Molecular Formula
C12H26O6P2S4
SMILES
CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC
InChI
InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
InChIKey
VBKKVDGJXVOLNE-UHFFFAOYSA-N
Compound name
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

19
References

14096
Patents

456.00876 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.01604 179.4
[M+Na]+ 478.99798 182.6
[M+NH4]+ 474.04258 183.7
[M+K]+ 494.97192 175.5
[M-H]- 455.00148 179.4
[M+Na-2H]- 476.98343 177.2
[M]+ 456.00821 181.2
[M]- 456.00931 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe