CID 3382953

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

Structural Information

Molecular Formula
C12H8FNO2
SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C=O)F
InChI
InChI=1S/C12H8FNO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H
InChIKey
CXDXKVFZZZMJQB-UHFFFAOYSA-N
Compound name
6-(4-fluorophenoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

70
Patents

217.05391 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06119 143.0
[M+Na]+ 240.04313 152.7
[M-H]- 216.04663 147.6
[M+NH4]+ 235.08773 160.1
[M+K]+ 256.01707 149.1
[M+H-H2O]+ 200.05117 134.2
[M+HCOO]- 262.05211 166.3
[M+CH3COO]- 276.06776 186.8
[M+Na-2H]- 238.02858 150.2
[M]+ 217.05336 143.7
[M]- 217.05446 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe