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

72
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

literature stripe

Patent stripe

patents stripe