CID 3854521

92973-26-7

Structural Information

Molecular Formula

C₁₁H₆Cl₂O₂

SMILES

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

InChI

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

InChIKey

DBONYOXUBWINEQ-UHFFFAOYSA-N

Compound name

5-(3-chlorophenyl)furan-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 239.97449 Da
Monoisotopic Mass: 4.1
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]+	240.98177	147.8
[M+Na]+	262.96371	158.7
[M-H]-	238.96721	155.1
[M+NH4]+	258.00831	167.2
[M+K]+	278.93765	154.2
[M+H-H2O]+	222.97175	143.2
[M+HCOO]-	284.97269	162.8
[M+CH3COO]-	298.98834	187.7
[M+Na-2H]-	260.94916	151.8
[M]+	239.97394	152.7
[M]-	239.97504	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe