CID 24729745

898796-63-9

Structural Information

Molecular Formula
C12H8ClNO
SMILES
C1=CC(=CC(=C1)Cl)C2=NC=C(C=C2)C=O
InChI
InChI=1S/C12H8ClNO/c13-11-3-1-2-10(6-11)12-5-4-9(8-15)7-14-12/h1-8H
InChIKey
UYPJIOKMLQLNER-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03671 144.0
[M+Na]+ 240.01865 161.4
[M+NH4]+ 235.06325 153.6
[M+K]+ 255.99259 152.2
[M-H]- 216.02215 148.7
[M+Na-2H]- 238.00410 155.0
[M]+ 217.02888 148.3
[M]- 217.02998 148.3
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.