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]+	225.011306	142.7
[M+Na]+	246.993248	153.4
[M-H]-	222.996754	149.5
[M+NH4]+	242.037853	162.4
[M+K]+	262.967188	149.9
[M+H-H2O]+	207.001290	136.7
[M+HCOO]-	269.002231	162.0
[M+CH3COO]-	283.017881	185.7
[M+Na-2H]-	244.978696	147.1
[M]+	224.00348142	145.6
[M]-	224.00457858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe