CID 12426333

2,3,4,5-tetrachloro-6-methylpyridine

Structural Information

Molecular Formula
C6H3Cl4N
SMILES
CC1=C(C(=C(C(=N1)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl4N/c1-2-3(7)4(8)5(9)6(10)11-2/h1H3
InChIKey
OZLPEWBQZDDFCQ-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloro-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

228.90196 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.909236 138.1
[M+Na]+ 251.891178 150.2
[M-H]- 227.894684 137.6
[M+NH4]+ 246.935783 156.1
[M+K]+ 267.865118 144.7
[M+H-H2O]+ 211.899220 135.0
[M+HCOO]- 273.900161 141.0
[M+CH3COO]- 287.915811 190.2
[M+Na-2H]- 249.876626 141.1
[M]+ 228.90141142 140.1
[M]- 228.90250858 140.1
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