CID 96842

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

Structural Information

Molecular Formula
C14H9FN2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3F
InChI
InChI=1S/C14H9FN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
InChIKey
LYXDSVMNYMSWLQ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.06989 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.077166 149.7
[M+Na]+ 263.059108 159.8
[M-H]- 239.062614 156.8
[M+NH4]+ 258.103713 164.8
[M+K]+ 279.033048 156.0
[M+H-H2O]+ 223.067150 139.8
[M+HCOO]- 285.068091 171.8
[M+CH3COO]- 299.083741 162.9
[M+Na-2H]- 261.044556 155.9
[M]+ 240.06934142 149.8
[M]- 240.07043858 149.8
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