CID 22144940

286836-33-7

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC(=O)CC1=C2C=COC2=CC=C1

InChI

InChI=1S/C11H10O2/c1-8(12)7-9-3-2-4-11-10(9)5-6-13-11/h2-6H,7H2,1H3

InChIKey

QOASYUORERLZBU-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-4-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 174.06808 Da
Monoisotopic Mass: 1.9
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]+	175.075356	133.6
[M+Na]+	197.057298	143.7
[M-H]-	173.060804	139.6
[M+NH4]+	192.101903	155.8
[M+K]+	213.031238	142.4
[M+H-H2O]+	157.065340	128.6
[M+HCOO]-	219.066281	158.5
[M+CH3COO]-	233.081931	179.6
[M+Na-2H]-	195.042746	141.5
[M]+	174.06753142	137.8
[M]-	174.06862858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe