CID 5318679

Isotrifoliol

Structural Information

Molecular Formula

C₁₆H₁₀O₆

SMILES

COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O

InChI

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

InChIKey

OVLUQDOJWGTPHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
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	160.9
[M+Na]+	321.03695	178.3
[M+NH4]+	316.08155	169.1
[M+K]+	337.01089	174.2
[M-H]-	297.04045	166.1
[M+Na-2H]-	319.02240	165.5
[M]+	298.04718	165.1
[M]-	298.04828	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe