CID 5270586

Schembl6531524

Structural Information

Molecular Formula
C15H11F2N3O2
SMILES
CC(=O)N1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C15H11F2N3O2/c1-9(21)20-15(11-2-3-12(16)13(17)8-11)22-14(19-20)10-4-6-18-7-5-10/h2-8,15H,1H3
InChIKey
ZLWJJPNWKPUZTM-UHFFFAOYSA-N
Compound name
1-[2-(3,4-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.08194 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08922 166.7
[M+Na]+ 326.07116 177.0
[M-H]- 302.07466 171.5
[M+NH4]+ 321.11576 178.0
[M+K]+ 342.04510 172.8
[M+H-H2O]+ 286.07920 155.0
[M+HCOO]- 348.08014 183.9
[M+CH3COO]- 362.09579 177.9
[M+Na-2H]- 324.05661 167.9
[M]+ 303.08139 166.0
[M]- 303.08249 166.0
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

patents stripe