CID 12367083

6-(4-chlorophenyl)-2-pyridinecarboxaldehyde

Structural Information

Molecular Formula

C₁₂H₈ClNO

SMILES

C1=CC(=NC(=C1)C2=CC=C(C=C2)Cl)C=O

InChI

InChI=1S/C12H8ClNO/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-15)14-12/h1-8H

InChIKey

XCAKGLGKTYFLGJ-UHFFFAOYSA-N

Compound name

6-(4-chlorophenyl)pyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 217.02943 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.036706	143.0
[M+Na]+	240.018648	153.5
[M-H]-	216.022154	148.7
[M+NH4]+	235.063253	161.1
[M+K]+	255.992588	148.0
[M+H-H2O]+	200.026690	136.0
[M+HCOO]-	262.027631	162.5
[M+CH3COO]-	276.043281	185.9
[M+Na-2H]-	238.004096	150.3
[M]+	217.02888142	145.4
[M]-	217.02997858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe