CID 50293

2-chloro-5-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6H3Cl4N
SMILES
C1=CC(=NC=C1C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey
VLJIVLGVKMTBOD-UHFFFAOYSA-N
Compound name
2-chloro-5-(trichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

548
Patents

228.90196 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.90924 140.8
[M+Na]+ 251.89118 150.8
[M-H]- 227.89468 139.8
[M+NH4]+ 246.93578 158.1
[M+K]+ 267.86512 145.4
[M+H-H2O]+ 211.89922 137.0
[M+HCOO]- 273.90016 142.1
[M+CH3COO]- 287.91581 186.8
[M+Na-2H]- 249.87663 146.1
[M]+ 228.90141 141.3
[M]- 228.90251 141.3
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.