CID 3056423

2-methyl-6-phenyloxireno(4.5)pyrano(3.2-d)-m-dioxin

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

COC1=C2C(=C3C(=COC(O3)C4=CC=CC=C4)O1)O2

InChI

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

InChIKey

WNAICBLIPNPBMG-UHFFFAOYSA-N

Compound name

5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undeca-1,4,7-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.05283 Da
Monoisotopic Mass: 1.7
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]+	259.060106	154.8
[M+Na]+	281.042048	166.8
[M-H]-	257.045554	167.2
[M+NH4]+	276.086653	164.1
[M+K]+	297.015988	169.2
[M+H-H2O]+	241.050090	146.9
[M+HCOO]-	303.051031	172.7
[M+CH3COO]-	317.066681	168.5
[M+Na-2H]-	279.027496	166.0
[M]+	258.05228142	164.3
[M]-	258.05337858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.