CID 556615

O-ethyl methylphosphonothioate

Structural Information

Molecular Formula
C3H9O2PS
SMILES
CCOP(=S)(C)O
InChI
InChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)
InChIKey
XXNRHOAJIUSMOQ-UHFFFAOYSA-N
Compound name
ethoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

110
Patents

140.00609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.013366 126.5
[M+Na]+ 162.995308 134.6
[M-H]- 138.998814 125.0
[M+NH4]+ 158.039913 148.7
[M+K]+ 178.969248 133.6
[M+H-H2O]+ 123.003350 120.3
[M+HCOO]- 185.004291 148.9
[M+CH3COO]- 199.019941 169.6
[M+Na-2H]- 160.980756 128.2
[M]+ 140.00554142 129.9
[M]- 140.00663858 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe