CID 784582

3-[(2-fluorobenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₁FO₂

SMILES

C1=CC=C(C(=C1)COC2=CC=CC(=C2)C=O)F

InChI

InChI=1S/C14H11FO2/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-9H,10H2

InChIKey

LTELQZWKXZXVDU-UHFFFAOYSA-N

Compound name

3-[(2-fluorophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 230.07431 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]+	231.081586	147.6
[M+Na]+	253.063528	156.4
[M-H]-	229.067034	153.4
[M+NH4]+	248.108133	165.6
[M+K]+	269.037468	152.6
[M+H-H2O]+	213.071570	139.5
[M+HCOO]-	275.072511	171.6
[M+CH3COO]-	289.088161	190.2
[M+Na-2H]-	251.048976	153.7
[M]+	230.07376142	148.6
[M]-	230.07485858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe