CID 14575144

2-(chloro(pyridin-2-yl)methyl)pyridine

Structural Information

Molecular Formula
C11H9ClN2
SMILES
C1=CC=NC(=C1)C(C2=CC=CC=N2)Cl
InChI
InChI=1S/C11H9ClN2/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h1-8,11H
InChIKey
OURLZCSNCILFGO-UHFFFAOYSA-N
Compound name
2-[chloro(pyridin-2-yl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.04543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05271 140.5
[M+Na]+ 227.03465 148.9
[M-H]- 203.03815 144.0
[M+NH4]+ 222.07925 157.1
[M+K]+ 243.00859 144.0
[M+H-H2O]+ 187.04269 132.3
[M+HCOO]- 249.04363 157.5
[M+CH3COO]- 263.05928 153.1
[M+Na-2H]- 225.02010 148.8
[M]+ 204.04488 140.9
[M]- 204.04598 140.9
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

patents stripe