CID 66644038

1255208-31-1

Structural Information

Molecular Formula

C₈H₄BrFO₂

SMILES

C1C2=C(C=CC(=C2F)Br)C(=O)O1

InChI

InChI=1S/C8H4BrFO2/c9-6-2-1-4-5(7(6)10)3-12-8(4)11/h1-2H,3H2

InChIKey

XZNRDCQUJBIHCW-UHFFFAOYSA-N

Compound name

5-bromo-4-fluoro-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 229.93787 Da
Monoisotopic Mass: 2.1
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]+	230.94515	139.7
[M+Na]+	252.92709	154.0
[M-H]-	228.93059	147.1
[M+NH4]+	247.97169	163.3
[M+K]+	268.90103	144.2
[M+H-H2O]+	212.93513	140.4
[M+HCOO]-	274.93607	160.0
[M+CH3COO]-	288.95172	185.6
[M+Na-2H]-	250.91254	147.0
[M]+	229.93732	158.7
[M]-	229.93842	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe