CID 23433264

6-(4-chlorophenoxy)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C12H8ClNO2
SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C=O)Cl
InChI
InChI=1S/C12H8ClNO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H
InChIKey
SMZLJRHNWGOQOS-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

233.02435 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.031626 146.1
[M+Na]+ 256.013568 156.5
[M-H]- 232.017074 151.8
[M+NH4]+ 251.058173 163.5
[M+K]+ 271.987508 151.6
[M+H-H2O]+ 216.021610 138.8
[M+HCOO]- 278.022551 165.8
[M+CH3COO]- 292.038201 187.9
[M+Na-2H]- 253.999016 153.4
[M]+ 233.02380142 150.0
[M]- 233.02489858 150.0
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

patents stripe