CID 359572

62869-57-2

Structural Information

Molecular Formula

C₉H₆O₅

SMILES

C1OC2=C(O1)C=C3C(=C2)C(OC3=O)O

InChI

InChI=1S/C9H6O5/c10-8-4-1-6-7(13-3-12-6)2-5(4)9(11)14-8/h1-2,8,10H,3H2

InChIKey

OMWWLAWOSZODOO-UHFFFAOYSA-N

Compound name

5-hydroxy-5H-furo[3,4-f][1,3]benzodioxol-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.02153 Da
Monoisotopic Mass: 0.6
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]+	195.02881	133.9
[M+Na]+	217.01075	145.3
[M+NH4]+	212.05535	142.2
[M+K]+	232.98469	145.8
[M-H]-	193.01425	138.3
[M+Na-2H]-	214.99620	135.0
[M]+	194.02098	136.6
[M]-	194.02208	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe