CID 321313

Nsc271486

Structural Information

Molecular Formula

C₁₇H₁₄O₄

SMILES

CCOC(=O)C1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14O4/c1-2-20-15(18)17(12-8-4-3-5-9-12)13-10-6-7-11-14(13)21-16(17)19/h3-11H,2H2,1H3

InChIKey

UXPQXLBCHCDSSI-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-3-phenyl-1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.0892 Da
Monoisotopic Mass: 3.3
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]+	283.096476	162.7
[M+Na]+	305.078418	171.4
[M-H]-	281.081924	171.5
[M+NH4]+	300.123023	181.9
[M+K]+	321.052358	169.3
[M+H-H2O]+	265.086460	156.2
[M+HCOO]-	327.087401	184.6
[M+CH3COO]-	341.103051	197.6
[M+Na-2H]-	303.063866	168.0
[M]+	282.08865142	166.3
[M]-	282.08974858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.