CID 74100

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe