CID 699591

421581-70-6

Structural Information

Molecular Formula
C14H8FN3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H8FN3O3/c15-11-6-4-9(5-7-11)14-16-13(17-21-14)10-2-1-3-12(8-10)18(19)20/h1-8H
InChIKey
PHSKMUVSVYQIRN-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4569
References

0
Patents

285.05496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.062236 159.6
[M+Na]+ 308.044178 168.2
[M-H]- 284.047684 167.1
[M+NH4]+ 303.088783 171.7
[M+K]+ 324.018118 160.8
[M+H-H2O]+ 268.052220 153.7
[M+HCOO]- 330.053161 182.6
[M+CH3COO]- 344.068811 193.1
[M+Na-2H]- 306.029626 166.9
[M]+ 285.05441142 158.5
[M]- 285.05550858 158.5
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

No patent data available for this compound.