CID 66797869

5-bromo-6-fluoro-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula

C₇H₃BrFNO₂

SMILES

C1=C2C(=CC(=C1Br)F)OC(=O)N2

InChI

InChI=1S/C7H3BrFNO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)

InChIKey

FODNOVDORFCKAO-UHFFFAOYSA-N

Compound name

5-bromo-6-fluoro-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 230.93312 Da
Monoisotopic Mass: 1.9
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]+	231.94040	141.7
[M+Na]+	253.92234	146.0
[M+NH4]+	248.96694	145.9
[M+K]+	269.89628	147.7
[M-H]-	229.92584	141.3
[M+Na-2H]-	251.90779	143.6
[M]+	230.93257	141.0
[M]-	230.93367	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe