CID 766117

33342-17-5

Structural Information

Molecular Formula

C₁₁H₇FO₂

SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=O)F

InChI

InChI=1S/C11H7FO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H

InChIKey

CKQKBILGSICMPT-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 16
Patents: 190.04301 Da
Monoisotopic Mass: 2.5
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]+	191.05029	134.8
[M+Na]+	213.03223	145.1
[M-H]-	189.03573	141.8
[M+NH4]+	208.07683	155.2
[M+K]+	229.00617	143.1
[M+H-H2O]+	173.04027	128.3
[M+HCOO]-	235.04121	159.8
[M+CH3COO]-	249.05686	181.0
[M+Na-2H]-	211.01768	141.1
[M]+	190.04246	136.2
[M]-	190.04356	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe