CID 465146

2-(4-fluorophenyl)-3-methyl-5-(4-pyridyl)-2h-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H12FN3O
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H12FN3O/c1-18-14(11-2-4-12(15)5-3-11)19-13(17-18)10-6-8-16-9-7-10/h2-9,14H,1H3
InChIKey
CFYGDKMHDRJDOX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.09644 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10372 156.4
[M+Na]+ 280.08566 166.3
[M-H]- 256.08916 162.0
[M+NH4]+ 275.13026 169.5
[M+K]+ 296.05960 162.4
[M+H-H2O]+ 240.09370 145.6
[M+HCOO]- 302.09464 175.6
[M+CH3COO]- 316.11029 168.5
[M+Na-2H]- 278.07111 160.6
[M]+ 257.09589 155.9
[M]- 257.09699 155.9
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.