CID 82293543

2-bromo-5-(3-fluorophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C8H4BrFN2O
SMILES
C1=CC(=CC(=C1)F)C2=NN=C(O2)Br
InChI
InChI=1S/C8H4BrFN2O/c9-8-12-11-7(13-8)5-2-1-3-6(10)4-5/h1-4H
InChIKey
DUPRNZQIQCVBOM-UHFFFAOYSA-N
Compound name
2-bromo-5-(3-fluorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.9491 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.956376 140.2
[M+Na]+ 264.938318 154.3
[M-H]- 240.941824 147.1
[M+NH4]+ 259.982923 159.6
[M+K]+ 280.912258 144.5
[M+H-H2O]+ 224.946360 138.7
[M+HCOO]- 286.947301 160.7
[M+CH3COO]- 300.962951 156.0
[M+Na-2H]- 262.923766 148.4
[M]+ 241.94855142 159.5
[M]- 241.94964858 159.5
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