CID 737536

321432-05-7

Structural Information

Molecular Formula

C₁₅H₁₃FO₃

SMILES

COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FO3/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3

InChIKey

PGCCPVWYLPJNBO-UHFFFAOYSA-N

Compound name

4-[(4-fluorophenyl)methoxy]-3-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 24
Patents: 260.08487 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]+	261.09215	158.5
[M+Na]+	283.07409	173.0
[M+NH4]+	278.11869	166.2
[M+K]+	299.04803	165.0
[M-H]-	259.07759	161.4
[M+Na-2H]-	281.05954	166.9
[M]+	260.08432	161.4
[M]-	260.08542	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe