CID 151414

O,o-dimethyl s-ethyl phosphorothioate

Structural Information

Molecular Formula
C4H11O3PS
SMILES
CCSP(=O)(OC)OC
InChI
InChI=1S/C4H11O3PS/c1-4-9-8(5,6-2)7-3/h4H2,1-3H3
InChIKey
KEVXARPBRXTLQG-UHFFFAOYSA-N
Compound name
1-dimethoxyphosphorylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

170.01665 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02393 133.0
[M+Na]+ 193.00587 141.0
[M-H]- 169.00937 132.7
[M+NH4]+ 188.05047 154.7
[M+K]+ 208.97981 141.2
[M+H-H2O]+ 153.01391 126.1
[M+HCOO]- 215.01485 156.9
[M+CH3COO]- 229.03050 177.4
[M+Na-2H]- 190.99132 135.0
[M]+ 170.01610 140.1
[M]- 170.01720 140.1
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.