CID 11389470

89424-83-9

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1C2=C(CO1)C=C(C=C2)C=O

InChI

InChI=1S/C9H8O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-4H,5-6H2

InChIKey

WAYCQEPIQNTRDJ-UHFFFAOYSA-N

Compound name

1,3-dihydro-2-benzofuran-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 148.05243 Da
Monoisotopic Mass: 0.6
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]+	149.05971	127.1
[M+Na]+	171.04165	140.1
[M+NH4]+	166.08625	136.9
[M+K]+	187.01559	135.4
[M-H]-	147.04515	130.7
[M+Na-2H]-	169.02710	132.9
[M]+	148.05188	129.9
[M]-	148.05298	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe