CID 3088796

Phosphorothioic acid, s-(6-chloro-2-pyridinylmethyl) ester, dilithium salt, monohydrate

Structural Information

Molecular Formula
C6H7ClNO3PS
SMILES
C1=CC(=NC(=C1)Cl)CSP(=O)(O)O
InChI
InChI=1S/C6H7ClNO3PS/c7-6-3-1-2-5(8-6)4-13-12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKey
MDYHUYLNZAIDHI-UHFFFAOYSA-N
Compound name
(6-chloropyridin-2-yl)methylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95728 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96456 145.6
[M+Na]+ 261.94650 156.8
[M+NH4]+ 256.99110 152.5
[M+K]+ 277.92044 150.4
[M-H]- 237.95000 144.6
[M+Na-2H]- 259.93195 149.9
[M]+ 238.95673 147.4
[M]- 238.95783 147.4
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.