CID 2771969

380889-69-0

Structural Information

Molecular Formula

C₁₁H₆ClFO₂

SMILES

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

InChI

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

InChIKey

LAICLIOPDMJLFC-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)furan-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 224.00403 Da
Monoisotopic Mass: 3.6
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	144.0
[M+Na]+	246.99325	158.1
[M+NH4]+	242.03785	152.5
[M+K]+	262.96719	153.0
[M-H]-	222.99675	147.6
[M+Na-2H]-	244.97870	151.4
[M]+	224.00348	147.3
[M]-	224.00458	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe