CID 5272182

Schembl28185394

Structural Information

Molecular Formula

C₁₄H₈O₃

SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C(=O)C=O

InChI

InChI=1S/C14H8O3/c15-8-12(16)9-5-6-11-10-3-1-2-4-13(10)17-14(11)7-9/h1-8H

InChIKey

FSGIFXXRNVBDFH-UHFFFAOYSA-N

Compound name

2-dibenzofuran-3-yl-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 224.04735 Da
Monoisotopic Mass: 3.5
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]+	225.05463	144.3
[M+Na]+	247.03657	155.5
[M-H]-	223.04007	151.5
[M+NH4]+	242.08117	165.3
[M+K]+	263.01051	152.7
[M+H-H2O]+	207.04461	138.8
[M+HCOO]-	269.04555	168.3
[M+CH3COO]-	283.06120	159.2
[M+Na-2H]-	245.02202	152.6
[M]+	224.04680	149.4
[M]-	224.04790	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe