CID 87260364

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

Structural Information

Molecular Formula
C6H3Cl4N
SMILES
C1=C(C(=C(C(=N1)Cl)Cl)CCl)Cl
InChI
InChI=1S/C6H3Cl4N/c7-1-3-4(8)2-11-6(10)5(3)9/h2H,1H2
InChIKey
OKECYWGZJKLHSJ-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-4-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

228.90196 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.909236 138.5
[M+Na]+ 251.891178 149.7
[M-H]- 227.894684 137.6
[M+NH4]+ 246.935783 156.2
[M+K]+ 267.865118 144.2
[M+H-H2O]+ 211.899220 135.1
[M+HCOO]- 273.900161 141.4
[M+CH3COO]- 287.915811 189.1
[M+Na-2H]- 249.876626 142.1
[M]+ 228.90141142 140.2
[M]- 228.90250858 140.2
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