CID 3016672

2-dibenzofuranacetic acid

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

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

InChI

InChI=1S/C14H10O3/c15-14(16)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)17-13/h1-7H,8H2,(H,15,16)

InChIKey

DOGYSAWVOSELAN-UHFFFAOYSA-N

Compound name

2-dibenzofuran-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 226.06299 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]+	227.07027	145.8
[M+Na]+	249.05221	160.6
[M+NH4]+	244.09681	155.1
[M+K]+	265.02615	155.6
[M-H]-	225.05571	149.7
[M+Na-2H]-	247.03766	151.9
[M]+	226.06244	149.1
[M]-	226.06354	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe