CID 673673

5-(2,5-dichlorophenyl)furfural

Structural Information

Molecular Formula

C₁₁H₆Cl₂O₂

SMILES

C1=CC(=C(C=C1Cl)C2=CC=C(O2)C=O)Cl

InChI

InChI=1S/C11H6Cl2O2/c12-7-1-3-10(13)9(5-7)11-4-2-8(6-14)15-11/h1-6H

InChIKey

RKZWOCAAXGBQBN-UHFFFAOYSA-N

Compound name

5-(2,5-dichlorophenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 239.97449 Da
Monoisotopic Mass: 3.7
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]+	240.98177	147.6
[M+Na]+	262.96371	159.7
[M-H]-	238.96721	155.1
[M+NH4]+	258.00831	167.4
[M+K]+	278.93765	154.8
[M+H-H2O]+	222.97175	143.1
[M+HCOO]-	284.97269	163.5
[M+CH3COO]-	298.98834	188.0
[M+Na-2H]-	260.94916	152.0
[M]+	239.97394	153.4
[M]-	239.97504	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe