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: 88
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]+	149.059706	126.0
[M+Na]+	171.041648	135.2
[M-H]-	147.045154	131.5
[M+NH4]+	166.086253	149.1
[M+K]+	187.015588	134.2
[M+H-H2O]+	131.049690	121.3
[M+HCOO]-	193.050631	149.6
[M+CH3COO]-	207.066281	173.3
[M+Na-2H]-	169.027096	134.3
[M]+	148.05188142	127.2
[M]-	148.05297858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe