CID 81499

2,3,5-trichloro-6-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6HCl6N
SMILES
C1=C(C(=NC(=C1Cl)Cl)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C6HCl6N/c7-2-1-3(8)5(9)13-4(2)6(10,11)12/h1H
InChIKey
MSRGJVQTGNSQOZ-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-(trichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

296.824 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.83128 159.7
[M+Na]+ 319.81322 168.2
[M-H]- 295.81672 154.7
[M+NH4]+ 314.85782 172.3
[M+K]+ 335.78716 164.1
[M+H-H2O]+ 279.82126 156.1
[M+HCOO]- 341.82220 149.8
[M+CH3COO]- 355.83785 202.3
[M+Na-2H]- 317.79867 159.1
[M]+ 296.82345 155.9
[M]- 296.82455 155.9
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