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

445
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

literature stripe

Patent stripe

patents stripe