CID 12257871

2,3,6-trichloro-5-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H3Cl4N
SMILES
C1=C(C(=NC(=C1Cl)Cl)Cl)CCl
InChI
InChI=1S/C6H3Cl4N/c7-2-3-1-4(8)6(10)11-5(3)9/h1H,2H2
InChIKey
DGRWKOIUYLWSEV-UHFFFAOYSA-N
Compound name
2,3,6-trichloro-5-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

228.90196 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.90924 138.5
[M+Na]+ 251.89118 149.7
[M-H]- 227.89468 137.6
[M+NH4]+ 246.93578 156.2
[M+K]+ 267.86512 144.2
[M+H-H2O]+ 211.89922 135.1
[M+HCOO]- 273.90016 141.4
[M+CH3COO]- 287.91581 189.1
[M+Na-2H]- 249.87663 142.1
[M]+ 228.90141 140.2
[M]- 228.90251 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