CID 208515

Velsicol 58cs56

Structural Information

Molecular Formula
C12H24O8P2S4
SMILES
CCOC(=O)C(C(C(=O)OCC)SP(=S)(OC)OC)SP(=S)(OC)OC
InChI
InChI=1S/C12H24O8P2S4/c1-7-19-11(13)9(25-21(23,15-3)16-4)10(12(14)20-8-2)26-22(24,17-5)18-6/h9-10H,7-8H2,1-6H3
InChIKey
MYJCKKZBYSVOQC-UHFFFAOYSA-N
Compound name
diethyl 2,3-bis(dimethoxyphosphinothioylsulfanyl)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.98294 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.99022 186.7
[M+Na]+ 508.97216 186.4
[M+NH4]+ 504.01676 247.5
[M+K]+ 524.94610 182.3
[M-H]- 484.97566 180.1
[M+Na-2H]- 506.95761 182.3
[M]+ 485.98239 185.7
[M]- 485.98349 185.7
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.