CID 14517151

5-chloro-2-(chloromethyl)pyridine hydrochloride

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

417
Patents

160.9799 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 126.2
[M+Na]+ 183.96912 142.2
[M+NH4]+ 179.01372 136.3
[M+K]+ 199.94306 133.7
[M-H]- 159.97262 128.7
[M+Na-2H]- 181.95457 135.2
[M]+ 160.97935 129.9
[M]- 160.98045 129.9
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

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