CID 14517151

5-chloro-2-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CC(=NC=C1Cl)CCl
InChI
InChI=1S/C6H5Cl2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKey
JTTKXEIHKDSIRC-UHFFFAOYSA-N
Compound name
5-chloro-2-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

160.9799 Da
Monoisotopic Mass

1.9
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