CID 70990

3,4,5-trichloro-2-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6HCl6N
SMILES
C1=C(C(=C(C(=N1)C(Cl)(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6HCl6N/c7-2-1-13-5(6(10,11)12)4(9)3(2)8/h1H
InChIKey
YWSFDYUMEBEQNZ-UHFFFAOYSA-N
Compound name
3,4,5-trichloro-2-(trichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

26
Patents

296.824 Da
Monoisotopic Mass

4.4
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

literature stripe

Patent stripe

patents stripe