CID 18756978

S-methyl dihydrogen phosphorothioate

Structural Information

Molecular Formula
CH5O3PS
SMILES
CSP(=O)(O)O
InChI
InChI=1S/CH5O3PS/c1-6-5(2,3)4/h1H3,(H2,2,3,4)
InChIKey
BTQRRZXJCYXRHL-UHFFFAOYSA-N
Compound name
methylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

127.9697 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.97698 122.2
[M+Na]+ 150.95892 130.5
[M+NH4]+ 146.00352 129.2
[M+K]+ 166.93286 126.0
[M-H]- 126.96242 119.2
[M+Na-2H]- 148.94437 123.7
[M]+ 127.96915 122.6
[M]- 127.97025 122.6
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