CID 54679748

Maybridge3_001451

Structural Information

Molecular Formula

C₁₇H₁₂O₅

SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)CC(=O)C3=CC=CC=C3O)O

InChI

InChI=1S/C17H12O5/c18-13-7-3-1-5-10(13)14(19)9-12-16(20)11-6-2-4-8-15(11)22-17(12)21/h1-8,18,20H,9H2

InChIKey

GAHZSGUHHWBTOH-UHFFFAOYSA-N

Compound name

4-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 296.06848 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]+	297.075756	163.6
[M+Na]+	319.057698	172.9
[M-H]-	295.061204	170.2
[M+NH4]+	314.102303	177.2
[M+K]+	335.031638	169.7
[M+H-H2O]+	279.065740	156.0
[M+HCOO]-	341.066681	183.0
[M+CH3COO]-	355.082331	198.9
[M+Na-2H]-	317.043146	169.2
[M]+	296.06793142	166.2
[M]-	296.06902858	166.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.