CID 10891372

90996-89-7

Structural Information

Molecular Formula

C₁₆H₁₂O₅

SMILES

COC1=C(C(=CC2=C1OCO2)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3

InChIKey

ACHFSGOIKJNVJV-UHFFFAOYSA-N

Compound name

6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 284.06848 Da
Monoisotopic Mass: 3.4
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]+	285.07576	158.3
[M+Na]+	307.05770	169.8
[M-H]-	283.06120	169.2
[M+NH4]+	302.10230	175.5
[M+K]+	323.03164	169.6
[M+H-H2O]+	267.06574	154.1
[M+HCOO]-	329.06668	179.7
[M+CH3COO]-	343.08233	172.8
[M+Na-2H]-	305.04315	164.6
[M]+	284.06793	166.2
[M]-	284.06903	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe