CID 20116494

5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C8H5BrFN3O
SMILES
C1=CC(=C(C=C1F)Br)C2=NN=C(O2)N
InChI
InChI=1S/C8H5BrFN3O/c9-6-3-4(10)1-2-5(6)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
VGZKXDFCISOURP-UHFFFAOYSA-N
Compound name
5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.96728 145.0
[M+Na]+ 279.94922 159.0
[M-H]- 255.95272 151.7
[M+NH4]+ 274.99382 163.4
[M+K]+ 295.92316 148.2
[M+H-H2O]+ 239.95726 142.8
[M+HCOO]- 301.95820 165.8
[M+CH3COO]- 315.97385 160.3
[M+Na-2H]- 277.93467 151.8
[M]+ 256.95945 163.0
[M]- 256.96055 163.0
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.