CID 609821

34035-04-6

Structural Information

Molecular Formula

C₁₁H₇ClO₂

SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C=O)Cl

InChI

InChI=1S/C11H7ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H

InChIKey

ONQOZTFAOFZDFK-UHFFFAOYSA-N

Compound name

5-(2-chlorophenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 213
Patents: 206.01346 Da
Monoisotopic Mass: 3.1
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]+	207.02074	139.6
[M+Na]+	229.00268	155.2
[M+NH4]+	224.04728	149.2
[M+K]+	244.97662	149.3
[M-H]-	205.00618	145.0
[M+Na-2H]-	226.98813	148.4
[M]+	206.01291	143.8
[M]-	206.01401	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe