CID 70811

2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine

Structural Information

Molecular Formula
C6Cl7N
SMILES
C1(=C(C(=NC(=C1Cl)Cl)C(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9
InChIKey
YMBFWRZKTZICHS-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

108
Patents

330.78503 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.79231 171.4
[M+Na]+ 353.77425 178.5
[M-H]- 329.77775 164.0
[M+NH4]+ 348.81885 181.3
[M+K]+ 369.74819 175.6
[M+H-H2O]+ 313.78229 167.6
[M+HCOO]- 375.78323 156.5
[M+CH3COO]- 389.79888 209.9
[M+Na-2H]- 351.75970 167.6
[M]+ 330.78448 164.4
[M]- 330.78558 164.4
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

No patent data available for this compound.