CID 128844

13196-11-7

Structural Information

Molecular Formula

C₈H₆O₂

SMILES

C1=CC(=CC2=C1C=CO2)O

InChI

InChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H

InChIKey

UVJMVWURCUYFFK-UHFFFAOYSA-N

Compound name

1-benzofuran-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 579
Patents: 134.03677 Da
Monoisotopic Mass: 2.0
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]+	135.04405	119.9
[M+Na]+	157.02599	130.9
[M-H]-	133.02949	125.0
[M+NH4]+	152.07059	143.2
[M+K]+	172.99993	129.5
[M+H-H2O]+	117.03403	115.7
[M+HCOO]-	179.03497	145.2
[M+CH3COO]-	193.05062	136.0
[M+Na-2H]-	155.01144	130.3
[M]+	134.03622	122.6
[M]-	134.03732	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe