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
6
Annotation Hits

3
References

1092
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

literature stripe

Patent stripe

patents stripe