CID 493132

Chembl3260884

Structural Information

Molecular Formula
C14H10FN3O5
SMILES
CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)F)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C14H10FN3O5/c1-8(19)17-14(11-6-7-12(22-11)18(20)21)23-13(16-17)9-2-4-10(15)5-3-9/h2-7,14H,1H3
InChIKey
YPCLBSZSSNQXIR-UHFFFAOYSA-N
Compound name
1-[5-(4-fluorophenyl)-2-(5-nitrofuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.06046 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06774 168.2
[M+Na]+ 342.04968 176.1
[M-H]- 318.05318 176.8
[M+NH4]+ 337.09428 179.5
[M+K]+ 358.02362 171.3
[M+H-H2O]+ 302.05772 164.0
[M+HCOO]- 364.05866 189.1
[M+CH3COO]- 378.07431 198.5
[M+Na-2H]- 340.03513 171.4
[M]+ 319.05991 168.8
[M]- 319.06101 168.8
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

No patent data available for this compound.