CID 126043

96706-46-6

Structural Information

Molecular Formula

C₁₃H₈O₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC(=C3O2)C=O

InChI

InChI=1S/C13H8O2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H

InChIKey

GQYTWBPRZFRASB-UHFFFAOYSA-N

Compound name

dibenzofuran-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 196.05243 Da
Monoisotopic Mass: 3.1
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]+	197.059706	136.7
[M+Na]+	219.041648	148.6
[M-H]-	195.045154	144.0
[M+NH4]+	214.086253	159.2
[M+K]+	235.015588	145.6
[M+H-H2O]+	179.049690	131.4
[M+HCOO]-	241.050631	161.7
[M+CH3COO]-	255.066281	152.3
[M+Na-2H]-	217.027096	146.8
[M]+	196.05188142	141.4
[M]-	196.05297858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe