CID 16990

2,3,5,6-tetrachloropyridine

Structural Information

Molecular Formula
C5HCl4N
SMILES
C1=C(C(=NC(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKey
FATBKZJZAHWCSL-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloropyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

635
Patents

214.8863 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.89358 134.1
[M+Na]+ 237.87552 145.7
[M-H]- 213.87902 133.3
[M+NH4]+ 232.92012 152.3
[M+K]+ 253.84946 140.3
[M+H-H2O]+ 197.88356 130.8
[M+HCOO]- 259.88450 137.2
[M+CH3COO]- 273.90015 186.4
[M+Na-2H]- 235.86097 138.2
[M]+ 214.88575 135.4
[M]- 214.88685 135.4
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.