CID 1419107

163719-81-1

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChIKey
BCZQNQXJPMUTQA-UHFFFAOYSA-N
Compound name
ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

236.05972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.066996 147.5
[M+Na]+ 259.048938 157.2
[M-H]- 235.052444 151.6
[M+NH4]+ 254.093543 163.0
[M+K]+ 275.022878 156.0
[M+H-H2O]+ 219.056980 138.6
[M+HCOO]- 281.057921 168.9
[M+CH3COO]- 295.073571 188.7
[M+Na-2H]- 257.034386 152.1
[M]+ 236.05917142 150.5
[M]- 236.06026858 150.5
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

patents stripe