CID 10775790

Methyl 5-benzoylfuran-2-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₀O₄

SMILES

COC(=O)C1=CC=C(O1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H10O4/c1-16-13(15)11-8-7-10(17-11)12(14)9-5-3-2-4-6-9/h2-8H,1H3

InChIKey

FILYPAWPUAUFFC-UHFFFAOYSA-N

Compound name

methyl 5-benzoylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 230.0579 Da
Monoisotopic Mass: 2.8
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]+	231.06518	148.6
[M+Na]+	253.04712	161.0
[M+NH4]+	248.09172	155.9
[M+K]+	269.02106	157.9
[M-H]-	229.05062	152.3
[M+Na-2H]-	251.03257	155.3
[M]+	230.05735	151.3
[M]-	230.05845	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe