CID 198442

Brn 2124640

Structural Information

Molecular Formula
C9H19O4PS3
SMILES
CCOC(=O)CSCSP(=S)(OCC)OCC
InChI
InChI=1S/C9H19O4PS3/c1-4-11-9(10)7-16-8-17-14(15,12-5-2)13-6-3/h4-8H2,1-3H3
InChIKey
UWJJGLPLQXVGCK-UHFFFAOYSA-N
Compound name
ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0183 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02558 164.9
[M+Na]+ 341.00752 170.0
[M+NH4]+ 336.05212 170.6
[M+K]+ 356.98146 161.6
[M-H]- 317.01102 162.2
[M+Na-2H]- 338.99297 163.4
[M]+ 318.01775 165.9
[M]- 318.01885 165.9
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.