CID 68319895

Methyl 5-(5-fluoropyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C9H6FN3O3
SMILES
COC(=O)C1=NN=C(O1)C2=NC=C(C=C2)F
InChI
InChI=1S/C9H6FN3O3/c1-15-9(14)8-13-12-7(16-8)6-3-2-5(10)4-11-6/h2-4H,1H3
InChIKey
FHIKIYBCJNOCCH-UHFFFAOYSA-N
Compound name
methyl 5-(5-fluoropyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

223.03932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04660 145.6
[M+Na]+ 246.02854 158.2
[M+NH4]+ 241.07314 151.1
[M+K]+ 262.00248 155.8
[M-H]- 222.03204 146.2
[M+Na-2H]- 244.01399 151.6
[M]+ 223.03877 147.3
[M]- 223.03987 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe