CID 116224

64036-99-3

Structural Information

Molecular Formula
C9H22O3PS2
SMILES
CCOP(=O)(OCC)SCC[S+](C)CC
InChI
InChI=1S/C9H22O3PS2/c1-5-11-13(10,12-6-2)14-8-9-15(4)7-3/h5-9H2,1-4H3/q+1
InChIKey
YDYNMVNUGKEYOS-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanylethyl-ethyl-methylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0748 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08208 153.5
[M+Na]+ 296.06402 162.1
[M+NH4]+ 291.10862 161.1
[M+K]+ 312.03796 155.3
[M-H]- 272.06752 153.0
[M+Na-2H]- 294.04947 154.7
[M]+ 273.07425 155.6
[M]- 273.07535 155.6
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.