CID 610356

4821-94-7

Structural Information

Molecular Formula

C₁₀H₈O₅

SMILES

COC1=C(C=C2C(=C1)C(=O)OC2=O)OC

InChI

InChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3

InChIKey

IMSDRBDUANUSRL-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 208.03717 Da
Monoisotopic Mass: 1.2
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]+	209.044446	136.5
[M+Na]+	231.026388	147.8
[M-H]-	207.029894	143.0
[M+NH4]+	226.070993	157.7
[M+K]+	247.000328	147.8
[M+H-H2O]+	191.034430	132.0
[M+HCOO]-	253.035371	160.5
[M+CH3COO]-	267.051021	185.5
[M+Na-2H]-	229.011836	142.7
[M]+	208.03662142	143.0
[M]-	208.03771858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe