CID 5146131

Methyl dibenzo[b,d]furan-4-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

COC(=O)C1=CC=CC2=C1OC3=CC=CC=C23

InChI

InChI=1S/C14H10O3/c1-16-14(15)11-7-4-6-10-9-5-2-3-8-12(9)17-13(10)11/h2-8H,1H3

InChIKey

ZBKHXDCUAQMZNR-UHFFFAOYSA-N

Compound name

methyl dibenzofuran-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.06299 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]+	227.07027	145.3
[M+Na]+	249.05221	160.7
[M+NH4]+	244.09681	155.0
[M+K]+	265.02615	155.4
[M-H]-	225.05571	149.8
[M+Na-2H]-	247.03766	152.1
[M]+	226.06244	148.9
[M]-	226.06354	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe