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 142.6
[M+Na]+ 246.02854 153.2
[M-H]- 222.03204 145.6
[M+NH4]+ 241.07314 157.2
[M+K]+ 262.00248 152.2
[M+H-H2O]+ 206.03658 133.2
[M+HCOO]- 268.03752 163.3
[M+CH3COO]- 282.05317 185.6
[M+Na-2H]- 244.01399 148.1
[M]+ 223.03877 145.4
[M]- 223.03987 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