CID 11804898

181059-87-0

Structural Information

Molecular Formula

C₆H₄F₂O₂

SMILES

C1=COC(=C1)C(=O)C(F)F

InChI

InChI=1S/C6H4F2O2/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H

InChIKey

KQJGKOTXUUYBHO-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-(furan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.01793 Da
Monoisotopic Mass: 1.4
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]+	147.02521	123.2
[M+Na]+	169.00715	131.7
[M-H]-	145.01065	125.2
[M+NH4]+	164.05175	144.7
[M+K]+	184.98109	132.1
[M+H-H2O]+	129.01519	116.7
[M+HCOO]-	191.01613	145.1
[M+CH3COO]-	205.03178	172.6
[M+Na-2H]-	166.99260	128.1
[M]+	146.01738	121.9
[M]-	146.01848	121.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.