CID 10563682

(-)-microperfuranone

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

C1=CC=C(C=C1)CC2=C(C(=O)OC2O)C3=CC=CC=C3

InChI

InChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)15(17(19)20-16)13-9-5-2-6-10-13/h1-10,16,18H,11H2

InChIKey

MFURXTOJWOOSEM-UHFFFAOYSA-N

Compound name

3-benzyl-2-hydroxy-4-phenyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 266.0943 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]+	267.101576	158.9
[M+Na]+	289.083518	167.1
[M-H]-	265.087024	168.6
[M+NH4]+	284.128123	175.0
[M+K]+	305.057458	163.5
[M+H-H2O]+	249.091560	151.7
[M+HCOO]-	311.092501	181.5
[M+CH3COO]-	325.108151	171.8
[M+Na-2H]-	287.068966	162.4
[M]+	266.09375142	159.3
[M]-	266.09484858	159.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.