CID 78515

Benzofuran-7-ol

Structural Information

Molecular Formula

C₈H₆O₂

SMILES

C1=CC2=C(C(=C1)O)OC=C2

InChI

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

InChIKey

WXVRAHOQLYAQCR-UHFFFAOYSA-N

Compound name

1-benzofuran-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 635
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]+	135.044046	119.9
[M+Na]+	157.025988	130.9
[M-H]-	133.029494	125.0
[M+NH4]+	152.070593	143.2
[M+K]+	172.999928	129.5
[M+H-H2O]+	117.034030	115.7
[M+HCOO]-	179.034971	145.2
[M+CH3COO]-	193.050621	136.0
[M+Na-2H]-	155.011436	130.3
[M]+	134.03622142	122.6
[M]-	134.03731858	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe