CID 24841805

S-2-pyrazinylmethyl disodium phosphorothioate

Structural Information

Molecular Formula
C5H7N2O3PS
SMILES
C1=CN=C(C=N1)CSP(=O)(O)O
InChI
InChI=1S/C5H7N2O3PS/c8-11(9,10)12-4-5-3-6-1-2-7-5/h1-3H,4H2,(H2,8,9,10)
InChIKey
IYGRWYUWUOCWLE-UHFFFAOYSA-N
Compound name
pyrazin-2-ylmethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.9915 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99878 139.9
[M+Na]+ 228.98072 149.9
[M+NH4]+ 224.02532 145.8
[M+K]+ 244.95466 144.7
[M-H]- 204.98422 138.0
[M+Na-2H]- 226.96617 144.0
[M]+ 205.99095 140.9
[M]- 205.99205 140.9
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.