CID 208513

Velsicol 58-cs-39

Structural Information

Molecular Formula
C14H26O8P2S4
SMILES
CC(COC(=O)C(CC(=O)OCC=C)SP(=S)(OC)OC)SP(=S)(OC)OC
InChI
InChI=1S/C14H26O8P2S4/c1-7-8-21-13(15)9-12(28-24(26,19-5)20-6)14(16)22-10-11(2)27-23(25,17-3)18-4/h7,11-12H,1,8-10H2,2-6H3
InChIKey
MSCUHXPWGRRKKL-UHFFFAOYSA-N
Compound name
1-O-(2-dimethoxyphosphinothioylsulfanylpropyl) 4-O-prop-2-enyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.99857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.00585 228.6
[M+Na]+ 534.98779 226.9
[M-H]- 510.99129 218.0
[M+NH4]+ 530.03239 236.1
[M+K]+ 550.96173 226.0
[M+H-H2O]+ 494.99583 216.0
[M+HCOO]- 556.99677 235.6
[M+CH3COO]- 571.01242 234.3
[M+Na-2H]- 532.97324 213.8
[M]+ 511.99802 233.7
[M]- 511.99912 233.7
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.