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: 37
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]+	231.08159	150.8
[M+Na]+	253.06353	165.6
[M+NH4]+	248.10813	159.2
[M+K]+	269.03747	157.2
[M-H]-	229.06703	154.2
[M+Na-2H]-	251.04898	160.2
[M]+	230.07376	153.9
[M]-	230.07486	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe