CID 5491552

132915-51-6

Structural Information

Molecular Formula

C₁₆H₁₀O₆

SMILES

COC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4O3)O

InChI

InChI=1S/C16H10O6/c1-20-15-8(17)6-10-12(14(15)19)13(18)11-7-4-2-3-5-9(7)21-16(11)22-10/h2-6,17,19H,1H3

InChIKey

DDBDYKJWBBFIGN-UHFFFAOYSA-N

Compound name

1,3-dihydroxy-2-methoxy-[1]benzofuro[2,3-b]chromen-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 298.04773 Da
Monoisotopic Mass: 3.5
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]+	299.055006	159.8
[M+Na]+	321.036948	174.4
[M-H]-	297.040454	167.8
[M+NH4]+	316.081553	177.0
[M+K]+	337.010888	172.5
[M+H-H2O]+	281.044990	154.2
[M+HCOO]-	343.045931	181.1
[M+CH3COO]-	357.061581	174.4
[M+Na-2H]-	319.022396	169.1
[M]+	298.04718142	170.1
[M]-	298.04827858	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe