CID 24841807

S-2-pyridylmethyl disodium phosphorothioate

Structural Information

Molecular Formula
C6H8NO3PS
SMILES
C1=CC=NC(=C1)CSP(=O)(O)O
InChI
InChI=1S/C6H8NO3PS/c8-11(9,10)12-5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10)
InChIKey
WXJFAMQBMATYBU-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.99625 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00353 140.0
[M+Na]+ 227.98547 150.1
[M+NH4]+ 223.03007 146.7
[M+K]+ 243.95941 144.4
[M-H]- 203.98897 139.0
[M+Na-2H]- 225.97092 144.5
[M]+ 204.99570 141.3
[M]- 204.99680 141.3
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.