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

4
Patents

240.95386 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96114 142.0
[M+Na]+ 263.94308 155.8
[M-H]- 239.94658 150.2
[M+NH4]+ 258.98768 162.8
[M+K]+ 279.91702 145.9
[M+H-H2O]+ 223.95112 141.2
[M+HCOO]- 285.95206 163.5
[M+CH3COO]- 299.96771 158.1
[M+Na-2H]- 261.92853 149.8
[M]+ 240.95331 161.1
[M]- 240.95441 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