CID 493134

1-[5-(4-fluorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

Structural Information

Molecular Formula
C16H12FN3O4
SMILES
CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)F)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H12FN3O4/c1-10(21)19-16(12-3-2-4-14(9-12)20(22)23)24-15(18-19)11-5-7-13(17)8-6-11/h2-9,16H,1H3
InChIKey
HWLURPOHWICQRO-UHFFFAOYSA-N
Compound name
1-[5-(4-fluorophenyl)-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.08118 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08846 172.7
[M+Na]+ 352.07040 180.1
[M-H]- 328.07390 180.1
[M+NH4]+ 347.11500 183.0
[M+K]+ 368.04434 172.9
[M+H-H2O]+ 312.07844 166.7
[M+HCOO]- 374.07938 192.9
[M+CH3COO]- 388.09503 201.9
[M+Na-2H]- 350.05585 176.4
[M]+ 329.08063 171.2
[M]- 329.08173 171.2
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.