CID 116216

64036-95-9

Structural Information

Molecular Formula
C10H24O3PS2
SMILES
CCOP(=O)(OCC)SCC[S+](CC)CC
InChI
InChI=1S/C10H24O3PS2/c1-5-12-14(11,13-6-2)15-9-10-16(7-3)8-4/h5-10H2,1-4H3/q+1
InChIKey
QACHTXIQQRWDTM-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanylethyl(diethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09773 159.8
[M+Na]+ 310.07967 164.3
[M-H]- 286.08317 158.5
[M+NH4]+ 305.12427 176.4
[M+K]+ 326.05361 156.6
[M+H-H2O]+ 270.08771 154.0
[M+HCOO]- 332.08865 175.1
[M+CH3COO]- 346.10430 194.0
[M+Na-2H]- 308.06512 159.2
[M]+ 287.08990 166.8
[M]- 287.09100 166.8
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.