CID 198444

Brn 2128733

Structural Information

Molecular Formula
C10H21O4PS3
SMILES
CCOC(=O)CSCCSP(=S)(OCC)OCC
InChI
InChI=1S/C10H21O4PS3/c1-4-12-10(11)9-17-7-8-18-15(16,13-5-2)14-6-3/h4-9H2,1-3H3
InChIKey
BWGSYASPZHZWFU-UHFFFAOYSA-N
Compound name
ethyl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.03397 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04125 168.6
[M+Na]+ 355.02319 173.5
[M+NH4]+ 350.06779 174.1
[M+K]+ 370.99713 164.9
[M-H]- 331.02669 165.8
[M+Na-2H]- 353.00864 166.9
[M]+ 332.03342 169.5
[M]- 332.03452 169.5
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.