CID 208647

Stauffer r-14016

Structural Information

Molecular Formula
C12H23O6PS4
SMILES
CCOP(=S)(OCC)SC(CC(=O)OCSC)C(=O)OCSC
InChI
InChI=1S/C12H23O6PS4/c1-5-17-19(20,18-6-2)23-10(12(14)16-9-22-4)7-11(13)15-8-21-3/h10H,5-9H2,1-4H3
InChIKey
WLHMFXXWUZOPDO-UHFFFAOYSA-N
Compound name
bis(methylsulfanylmethyl) 2-diethoxyphosphinothioylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0115 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.01878 181.6
[M+Na]+ 445.00072 183.5
[M+NH4]+ 440.04532 185.1
[M+K]+ 460.97466 176.1
[M-H]- 421.00422 177.3
[M+Na-2H]- 442.98617 177.9
[M]+ 422.01095 181.8
[M]- 422.01205 181.8
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.