CID 12778491

Pongaglabol

Structural Information

Molecular Formula

C₁₇H₁₀O₄

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3O)OC=C4

InChI

InChI=1S/C17H10O4/c18-12-8-14(10-4-2-1-3-5-10)21-17-11-6-7-20-15(11)9-13(19)16(12)17/h1-9,19H

InChIKey

USQMGTCZKGEZKA-UHFFFAOYSA-N

Compound name

5-hydroxy-2-phenylfuro[2,3-h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 278.05792 Da
Monoisotopic Mass: 3.8
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]+	279.06520	157.6
[M+Na]+	301.04714	170.2
[M-H]-	277.05064	168.0
[M+NH4]+	296.09174	174.6
[M+K]+	317.02108	167.4
[M+H-H2O]+	261.05518	151.2
[M+HCOO]-	323.05612	180.2
[M+CH3COO]-	337.07177	172.1
[M+Na-2H]-	299.03259	166.2
[M]+	278.05737	163.5
[M]-	278.05847	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe