CID 2763226

3-bromo-5-(4-fluorophenyl)isoxazole

Structural Information

Molecular Formula
C9H5BrFNO
SMILES
C1=CC(=CC=C1C2=CC(=NO2)Br)F
InChI
InChI=1S/C9H5BrFNO/c10-9-5-8(13-12-9)6-1-3-7(11)4-2-6/h1-5H
InChIKey
PZNNZGICSJRAMW-UHFFFAOYSA-N
Compound name
3-bromo-5-(4-fluorophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.95386 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.961136 142.0
[M+Na]+ 263.943078 155.8
[M-H]- 239.946584 150.2
[M+NH4]+ 258.987683 162.8
[M+K]+ 279.917018 145.9
[M+H-H2O]+ 223.951120 141.2
[M+HCOO]- 285.952061 163.5
[M+CH3COO]- 299.967711 158.1
[M+Na-2H]- 261.928526 149.8
[M]+ 240.95331142 161.1
[M]- 240.95440858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe