CID 3084009

Sativol

Structural Information

Molecular Formula

C₁₆H₁₀O₆

SMILES

COC1=C(C2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O

InChI

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

InChIKey

YLRNDYZYIUVEDH-UHFFFAOYSA-N

Compound name

4,9-dihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 52
Patents: 298.04773 Da
Monoisotopic Mass: 2.7
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]+	299.05501	159.8
[M+Na]+	321.03695	174.4
[M-H]-	297.04045	167.8
[M+NH4]+	316.08155	177.0
[M+K]+	337.01089	172.5
[M+H-H2O]+	281.04499	154.2
[M+HCOO]-	343.04593	181.1
[M+CH3COO]-	357.06158	174.4
[M+Na-2H]-	319.02240	169.1
[M]+	298.04718	170.1
[M]-	298.04828	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe