CID 13815501

14796-48-6

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1=CC(=CC=C1C(C2C(=O)C3=C(O2)C=C(C=C3)O)O)O

InChI

InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13(18)15-14(19)11-6-5-10(17)7-12(11)20-15/h1-7,13,15-18H

InChIKey

KOUAZSKCURTENM-UHFFFAOYSA-N

Compound name

6-hydroxy-2-[hydroxy-(4-hydroxyphenyl)methyl]-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 272.06848 Da
Monoisotopic Mass: 2.2
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]+	273.075756	157.4
[M+Na]+	295.057698	165.8
[M-H]-	271.061204	162.7
[M+NH4]+	290.102303	173.2
[M+K]+	311.031638	162.8
[M+H-H2O]+	255.065740	151.8
[M+HCOO]-	317.066681	175.3
[M+CH3COO]-	331.082331	191.3
[M+Na-2H]-	293.043146	160.2
[M]+	272.06793142	157.7
[M]-	272.06902858	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.