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 176.7
[M-H]- 331.06306 170.0
[M+NH4]+ 350.10416 187.3
[M+K]+ 371.03350 171.7
[M+H-H2O]+ 315.06760 163.4
[M+HCOO]- 377.06854 181.8
[M+CH3COO]- 391.08419 208.2
[M+Na-2H]- 353.04501 170.0
[M]+ 332.06979 180.2
[M]- 332.07089 180.2
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.