CID 45086222

1-(2,3-dihydrobenzofuran-6-yl)ethanone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC(=O)C1=CC2=C(CCO2)C=C1

InChI

InChI=1S/C10H10O2/c1-7(11)9-3-2-8-4-5-12-10(8)6-9/h2-3,6H,4-5H2,1H3

InChIKey

FGMNFKJFNHRARH-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1-benzofuran-6-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 162.06808 Da
Monoisotopic Mass: 1.6
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]+	163.07536	131.8
[M+Na]+	185.05730	144.2
[M+NH4]+	180.10190	141.3
[M+K]+	201.03124	140.1
[M-H]-	161.06080	135.2
[M+Na-2H]-	183.04275	137.0
[M]+	162.06753	134.5
[M]-	162.06863	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe