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

4537
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]+ 286.06224 159.6
[M+Na]+ 308.04418 168.2
[M-H]- 284.04768 167.1
[M+NH4]+ 303.08878 171.7
[M+K]+ 324.01812 160.8
[M+H-H2O]+ 268.05222 153.7
[M+HCOO]- 330.05316 182.6
[M+CH3COO]- 344.06881 193.1
[M+Na-2H]- 306.02963 166.9
[M]+ 285.05441 158.5
[M]- 285.05551 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.