CID 3085320

3-(4-fluorophenoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₃H₉FO₂

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)F)C=O

InChI

InChI=1S/C13H9FO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H

InChIKey

HTBZPEDBMOXWID-UHFFFAOYSA-N

Compound name

3-(4-fluorophenoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 216.05865 Da
Monoisotopic Mass: 3.5
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]+	217.06593	146.2
[M+Na]+	239.04787	161.2
[M+NH4]+	234.09247	154.8
[M+K]+	255.02181	153.0
[M-H]-	215.05137	149.7
[M+Na-2H]-	237.03332	155.9
[M]+	216.05810	149.4
[M]-	216.05920	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe