CID 10845884

5-(chloromethyl)-2-(pyridin-2-yl)pyridine hydrochloride

Structural Information

Molecular Formula
C11H9ClN2
SMILES
C1=CC=NC(=C1)C2=NC=C(C=C2)CCl
InChI
InChI=1S/C11H9ClN2/c12-7-9-4-5-11(14-8-9)10-3-1-2-6-13-10/h1-6,8H,7H2
InChIKey
UWTQKKXRVWJVSY-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-pyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.04543 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.052706 140.8
[M+Na]+ 227.034648 150.4
[M-H]- 203.038154 144.5
[M+NH4]+ 222.079253 157.8
[M+K]+ 243.008588 145.0
[M+H-H2O]+ 187.042690 132.6
[M+HCOO]- 249.043631 158.7
[M+CH3COO]- 263.059281 153.7
[M+Na-2H]- 225.020096 149.4
[M]+ 204.04488142 142.1
[M]- 204.04597858 142.1
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