CID 172810061

O-ethyl s-propyl phosphorothioate

Structural Information

Molecular Formula
C5H14O3PS
SMILES
CCC[S+]=P(O)(O)OCC
InChI
InChI=1S/C5H14O3PS/c1-3-5-10-9(6,7)8-4-2/h6-7H,3-5H2,1-2H3/q+1
InChIKey
XZFJXVZHIGMRJH-UHFFFAOYSA-N
Compound name
[ethoxy(dihydroxy)-lambda5-phosphanylidene]-propylsulfanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

88
Patents

185.04013 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04741 137.3
[M+Na]+ 208.02935 144.0
[M-H]- 184.03285 134.3
[M+NH4]+ 203.07395 156.7
[M+K]+ 224.00329 136.6
[M+H-H2O]+ 168.03739 133.6
[M+HCOO]- 230.03833 157.7
[M+CH3COO]- 244.05398 167.4
[M+Na-2H]- 206.01480 140.8
[M]+ 185.03958 139.2
[M]- 185.04068 139.2
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

patents stripe