CID 14317

3,5-dichloro-2-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6H2Cl5N
SMILES
C1=C(C=NC(=C1Cl)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C6H2Cl5N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H
InChIKey
PWVHFDAKFGGYKJ-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-(trichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

262.86298 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.87026 149.4
[M+Na]+ 285.85220 159.0
[M-H]- 261.85570 146.6
[M+NH4]+ 280.89680 164.6
[M+K]+ 301.82614 153.9
[M+H-H2O]+ 245.86024 145.9
[M+HCOO]- 307.86118 145.1
[M+CH3COO]- 321.87683 194.5
[M+Na-2H]- 283.83765 152.0
[M]+ 262.86243 148.2
[M]- 262.86353 148.2
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

patents stripe