CID 86767808

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

Structural Information

Molecular Formula
C8H4BrFN2O
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)Br)F
InChI
InChI=1S/C8H4BrFN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H
InChIKey
GKNJYUWLUWVROA-UHFFFAOYSA-N
Compound name
3-bromo-5-(2-fluorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9491 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95638 140.2
[M+Na]+ 264.93832 154.3
[M-H]- 240.94182 147.1
[M+NH4]+ 259.98292 159.6
[M+K]+ 280.91226 144.5
[M+H-H2O]+ 224.94636 138.7
[M+HCOO]- 286.94730 160.7
[M+CH3COO]- 300.96295 156.0
[M+Na-2H]- 262.92377 148.4
[M]+ 241.94855 159.5
[M]- 241.94965 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

No patent data available for this compound.