CID 9964142

19278-82-1

Structural Information

Molecular Formula

C₈H₆O₃

SMILES

C1C(=O)C2=C(O1)C=CC(=C2)O

InChI

InChI=1S/C8H6O3/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,9H,4H2

InChIKey

WCHUTMOUMWZQFD-UHFFFAOYSA-N

Compound name

5-hydroxy-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 150.0317 Da
Monoisotopic Mass: 1.1
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]+	151.03898	125.7
[M+Na]+	173.02092	138.2
[M+NH4]+	168.06552	134.7
[M+K]+	188.99486	134.9
[M-H]-	149.02442	128.4
[M+Na-2H]-	171.00637	130.6
[M]+	150.03115	128.2
[M]-	150.03225	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe