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 222.6
[M+Na]+ 508.97216 220.7
[M-H]- 484.97566 212.1
[M+NH4]+ 504.01676 229.9
[M+K]+ 524.94610 219.5
[M+H-H2O]+ 468.98020 179.8
[M+HCOO]- 530.98114 229.7
[M+CH3COO]- 544.99679 230.0
[M+Na-2H]- 506.95761 190.7
[M]+ 485.98239 227.9
[M]- 485.98349 227.9
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.