CID 197063

Methylphosphonothiolate

Structural Information

Molecular Formula
CH5O2PS
SMILES
CP(=S)(O)O
InChI
InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
InChIKey
WXJXBKBJAKPJRN-UHFFFAOYSA-N
Compound name
dihydroxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1672
Patents

111.974785 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.98206 119.2
[M+Na]+ 134.96400 127.9
[M+NH4]+ 130.00861 126.7
[M+K]+ 150.93794 123.0
[M-H]- 110.96751 116.8
[M+Na-2H]- 132.94945 121.2
[M]+ 111.97424 119.9
[M]- 111.97533 119.9
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