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
3
Annotation Hits

0
References

65
Patents

262.86298 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.870256 149.4
[M+Na]+ 285.852198 159.0
[M-H]- 261.855704 146.6
[M+NH4]+ 280.896803 164.6
[M+K]+ 301.826138 153.9
[M+H-H2O]+ 245.860240 145.9
[M+HCOO]- 307.861181 145.1
[M+CH3COO]- 321.876831 194.5
[M+Na-2H]- 283.837646 152.0
[M]+ 262.86243142 148.2
[M]- 262.86352858 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