CID 15574440

2-chloro-6-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CC(=NC(=C1)Cl)CCl
InChI
InChI=1S/C6H5Cl2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKey
VHKDPJQJCMVQFZ-UHFFFAOYSA-N
Compound name
2-chloro-6-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

298
Patents

160.9799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.987176 125.3
[M+Na]+ 183.969118 136.0
[M-H]- 159.972624 127.0
[M+NH4]+ 179.013723 146.2
[M+K]+ 199.943058 131.4
[M+H-H2O]+ 143.977160 120.8
[M+HCOO]- 205.978101 139.7
[M+CH3COO]- 219.993751 175.0
[M+Na-2H]- 181.954566 133.3
[M]+ 160.97935142 127.7
[M]- 160.98044858 127.7
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