CID 417404

2-dibenzofurancarboxylic acid

Structural Information

Molecular Formula

C₁₃H₈O₃

SMILES

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

InChI

InChI=1S/C13H8O3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,14,15)

InChIKey

UGKPZVGCVIWBNX-UHFFFAOYSA-N

Compound name

dibenzofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 212.04735 Da
Monoisotopic Mass: 3.6
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]+	213.05463	141.1
[M+Na]+	235.03657	156.1
[M+NH4]+	230.08117	150.6
[M+K]+	251.01051	151.4
[M-H]-	211.04007	145.1
[M+Na-2H]-	233.02202	147.5
[M]+	212.04680	144.5
[M]-	212.04790	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe