CID 759212

310459-43-9

Structural Information

Molecular Formula

C₁₁H₆ClFO₂

SMILES

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

InChI

InChI=1S/C11H6ClFO2/c12-9-5-7(1-3-10(9)13)11-4-2-8(6-14)15-11/h1-6H

InChIKey

IKGCOVURJWXEST-UHFFFAOYSA-N

Compound name

5-(3-chloro-4-fluorophenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.00403 Da
Monoisotopic Mass: 3.2
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]+	225.01131	142.1
[M+Na]+	246.99325	154.0
[M-H]-	222.99675	149.2
[M+NH4]+	242.03785	162.2
[M+K]+	262.96719	150.1
[M+H-H2O]+	207.00129	136.3
[M+HCOO]-	269.00223	162.4
[M+CH3COO]-	283.01788	186.0
[M+Na-2H]-	244.97870	147.0
[M]+	224.00348	146.0
[M]-	224.00458	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.