CID 199444

Stauffer b-9395

Structural Information

Molecular Formula
C11H25O3PS3
SMILES
CCOP(=O)(OCC)SCC(C)(SCC)SCC
InChI
InChI=1S/C11H25O3PS3/c1-6-13-15(12,14-7-2)18-10-11(5,16-8-3)17-9-4/h6-10H2,1-5H3
InChIKey
RGZRQKNOUFRJLF-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylsulfanyl-2,2-bis(ethylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07034 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07762 172.8
[M+Na]+ 355.05956 178.1
[M+NH4]+ 350.10416 178.9
[M+K]+ 371.03350 169.1
[M-H]- 331.06306 170.4
[M+Na-2H]- 353.04501 171.5
[M]+ 332.06979 174.1
[M]- 332.07089 174.1
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.