CID 219210

5-(benzylideneamino)-2-chloro-pyridine

Structural Information

Molecular Formula
C12H9ClN2
SMILES
C1=CC=C(C=C1)C=NC2=CN=C(C=C2)Cl
InChI
InChI=1S/C12H9ClN2/c13-12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-9H
InChIKey
BQBVJUWPHXYQIW-UHFFFAOYSA-N
Compound name
N-(6-chloropyridin-3-yl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04543 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05271 144.6
[M+Na]+ 239.03465 153.8
[M-H]- 215.03815 151.1
[M+NH4]+ 234.07925 162.9
[M+K]+ 255.00859 148.5
[M+H-H2O]+ 199.04269 136.8
[M+HCOO]- 261.04363 166.4
[M+CH3COO]- 275.05928 158.1
[M+Na-2H]- 237.02010 153.5
[M]+ 216.04488 146.3
[M]- 216.04598 146.3
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

No patent data available for this compound.