CID 78694

Sodium 2,3,5,6-tetrachloropyridin-4-olate

Structural Information

Molecular Formula
C5HCl4NO
SMILES
C1(=C(NC(=C(C1=O)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl4NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)
InChIKey
RURNAQBVEXFRFC-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

17
Patents

230.88123 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.88851 140.7
[M+Na]+ 253.87045 156.3
[M+NH4]+ 248.91505 148.9
[M+K]+ 269.84439 148.5
[M-H]- 229.87395 141.2
[M+Na-2H]- 251.85590 147.0
[M]+ 230.88068 144.1
[M]- 230.88178 144.1
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