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]+ 241.07717 149.7
[M+Na]+ 263.05911 159.8
[M-H]- 239.06261 156.8
[M+NH4]+ 258.10371 164.8
[M+K]+ 279.03305 156.0
[M+H-H2O]+ 223.06715 139.8
[M+HCOO]- 285.06809 171.8
[M+CH3COO]- 299.08374 162.9
[M+Na-2H]- 261.04456 155.9
[M]+ 240.06934 149.8
[M]- 240.07044 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