CID 60734611

1267138-82-8

Structural Information

Molecular Formula

C₁₀H₇FO₂

SMILES

CC(=O)C1=CC2=C(O1)C=CC(=C2)F

InChI

InChI=1S/C10H7FO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3

InChIKey

CAVMFXJYIBBFJO-UHFFFAOYSA-N

Compound name

1-(5-fluoro-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 178.04301 Da
Monoisotopic Mass: 2.4
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]+	179.05029	133.7
[M+Na]+	201.03223	147.2
[M+NH4]+	196.07683	142.4
[M+K]+	217.00617	142.9
[M-H]-	177.03573	135.9
[M+Na-2H]-	199.01768	139.5
[M]+	178.04246	136.2
[M]-	178.04356	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe