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 147.7
[M+Na]+ 263.94308 152.2
[M+NH4]+ 258.98768 152.5
[M+K]+ 279.91702 152.9
[M-H]- 239.94658 149.5
[M+Na-2H]- 261.92853 151.9
[M]+ 240.95331 147.7
[M]- 240.95441 147.7
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