CID 16584

Pentachloropyridine

Structural Information

Molecular Formula
C5Cl5N
SMILES
C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
DNDPLEAVNVOOQZ-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentachloropyridine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3
References

1318
Patents

248.84734 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.85462 142.8
[M+Na]+ 271.83656 153.8
[M-H]- 247.84006 140.1
[M+NH4]+ 266.88116 158.8
[M+K]+ 287.81050 148.9
[M+H-H2O]+ 231.84460 139.8
[M+HCOO]- 293.84554 140.1
[M+CH3COO]- 307.86119 152.8
[M+Na-2H]- 269.82201 144.2
[M]+ 248.84679 142.3
[M]- 248.84789 142.3
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.