CID 3088806

Phosphorothioic acid, s-(4-chloro-2-pyridinylmethyl) ester, dilithium salt, monohydrate

Structural Information

Molecular Formula
C6H7ClNO3PS
SMILES
C1=CN=C(C=C1Cl)CSP(=O)(O)O
InChI
InChI=1S/C6H7ClNO3PS/c7-5-1-2-8-6(3-5)4-13-12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKey
JTYTYJLMDZABJC-UHFFFAOYSA-N
Compound name
(4-chloropyridin-2-yl)methylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95728 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96456 142.2
[M+Na]+ 261.94650 151.4
[M-H]- 237.95000 141.6
[M+NH4]+ 256.99110 159.3
[M+K]+ 277.92044 146.9
[M+H-H2O]+ 221.95454 135.4
[M+HCOO]- 283.95548 158.6
[M+CH3COO]- 297.97113 181.1
[M+Na-2H]- 259.93195 144.2
[M]+ 238.95673 146.2
[M]- 238.95783 146.2
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.