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-fluoro-2-pyridinyl)-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]+ 224.046596 142.6
[M+Na]+ 246.028538 153.2
[M-H]- 222.032044 145.6
[M+NH4]+ 241.073143 157.2
[M+K]+ 262.002478 152.2
[M+H-H2O]+ 206.036580 133.2
[M+HCOO]- 268.037521 163.3
[M+CH3COO]- 282.053171 185.6
[M+Na-2H]- 244.013986 148.1
[M]+ 223.03877142 145.4
[M]- 223.03986858 145.4
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