CID 94438

1,2-bis(dimethoxyphosphorylsulfanyl)ethane

Structural Information

Molecular Formula
C6H16O6P2S2
SMILES
COP(=O)(OC)SCCSP(=O)(OC)OC
InChI
InChI=1S/C6H16O6P2S2/c1-9-13(7,10-2)15-5-6-16-14(8,11-3)12-4/h5-6H2,1-4H3
InChIKey
OADXTDIYEOFAND-UHFFFAOYSA-N
Compound name
1,2-bis(dimethoxyphosphorylsulfanyl)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.98636 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99364 161.7
[M+Na]+ 332.97558 166.5
[M+NH4]+ 328.02018 165.9
[M+K]+ 348.94952 161.8
[M-H]- 308.97908 156.9
[M+Na-2H]- 330.96103 160.4
[M]+ 309.98581 161.4
[M]- 309.98691 161.4
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

patents stripe