CID 10265117

67121-26-0

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1OC2=C(O1)C=C3C(=C2)C=C(O3)C4=C(C=C(C=C4)O)O

InChI

InChI=1S/C15H10O5/c16-9-1-2-10(11(17)5-9)13-3-8-4-14-15(19-7-18-14)6-12(8)20-13/h1-6,16-17H,7H2

InChIKey

UACAJEAOMACMMU-UHFFFAOYSA-N

Compound name

4-furo[2,3-f][1,3]benzodioxol-6-ylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 270.05283 Da
Monoisotopic Mass: 3.1
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]+	271.06011	153.5
[M+Na]+	293.04205	165.1
[M-H]-	269.04555	163.4
[M+NH4]+	288.08665	170.7
[M+K]+	309.01599	164.3
[M+H-H2O]+	253.05009	149.8
[M+HCOO]-	315.05103	173.8
[M+CH3COO]-	329.06668	167.9
[M+Na-2H]-	291.02750	160.1
[M]+	270.05228	159.5
[M]-	270.05338	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe