CID 116889

2,3,4-trichloro-6-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6HCl6N
SMILES
C1=C(C(=C(N=C1C(Cl)(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6HCl6N/c7-2-1-3(6(10,11)12)13-5(9)4(2)8/h1H
InChIKey
QDOUCCJYFGZABY-UHFFFAOYSA-N
Compound name
2,3,4-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]+ 297.831276 159.7
[M+Na]+ 319.813218 168.2
[M-H]- 295.816724 154.7
[M+NH4]+ 314.857823 172.3
[M+K]+ 335.787158 164.1
[M+H-H2O]+ 279.821260 156.1
[M+HCOO]- 341.822201 149.8
[M+CH3COO]- 355.837851 202.3
[M+Na-2H]- 317.798666 159.1
[M]+ 296.82345142 155.9
[M]- 296.82454858 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