CID 135873704

89783-74-4

Structural Information

Molecular Formula

C₁₆H₁₀O₆

SMILES

COC1=CC2=C3C(=C1)OC(=CC3=C4C=C(C(=O)C=C4O2)O)O

InChI

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

InChIKey

FAVAWTOATHDWMK-UHFFFAOYSA-N

Compound name

4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.04773 Da
Monoisotopic Mass: 1.4
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	161.4
[M+Na]+	321.036948	174.9
[M-H]-	297.040454	168.1
[M+NH4]+	316.081553	176.7
[M+K]+	337.010888	173.6
[M+H-H2O]+	281.044990	153.8
[M+HCOO]-	343.045931	180.4
[M+CH3COO]-	357.061581	175.0
[M+Na-2H]-	319.022396	172.7
[M]+	298.04718142	171.2
[M]-	298.04827858	171.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.