CID 212752

24833-15-6

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
CC1=CC(=NO1)C(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C11H9FN2O3/c1-7-2-10(14-17-7)11(15)16-6-8-3-9(12)5-13-4-8/h2-5H,6H2,1H3
InChIKey
WEZOJBKFKOHPLM-UHFFFAOYSA-N
Compound name
(5-fluoro-3-pyridinyl)methyl 5-methyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.05972 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.