CID 147719

5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

CC(C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

InChI

InChI=1S/C14H10O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-6,15-16H,1H3

InChIKey

XJGFVZBTNKODFQ-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(1-hydroxyethyl)benzo[f][1]benzofuran-4,9-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 33
Patents: 258.05283 Da
Monoisotopic Mass: 2.0
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]+	259.060106	152.0
[M+Na]+	281.042048	162.5
[M-H]-	257.045554	156.7
[M+NH4]+	276.086653	170.7
[M+K]+	297.015988	159.9
[M+H-H2O]+	241.050090	147.5
[M+HCOO]-	303.051031	170.2
[M+CH3COO]-	317.066681	193.0
[M+Na-2H]-	279.027496	156.0
[M]+	258.05228142	154.9
[M]-	258.05337858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe