CID 4779400

1-(2-chlorophenyl)-n-(pyridin-3-yl)methanimine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04543 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.052706 144.6
[M+Na]+ 239.034648 153.8
[M-H]- 215.038154 151.1
[M+NH4]+ 234.079253 162.9
[M+K]+ 255.008588 148.5
[M+H-H2O]+ 199.042690 136.8
[M+HCOO]- 261.043631 166.4
[M+CH3COO]- 275.059281 158.1
[M+Na-2H]- 237.020096 153.5
[M]+ 216.04488142 146.3
[M]- 216.04597858 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.