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

132
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

literature stripe

Patent stripe

patents stripe