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

109
Patents

140.00609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01337 126.5
[M+Na]+ 162.99531 134.6
[M-H]- 138.99881 125.0
[M+NH4]+ 158.03991 148.7
[M+K]+ 178.96925 133.6
[M+H-H2O]+ 123.00335 120.3
[M+HCOO]- 185.00429 148.9
[M+CH3COO]- 199.01994 169.6
[M+Na-2H]- 160.98076 128.2
[M]+ 140.00554 129.9
[M]- 140.00664 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.