CID 86812213

Methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C11H8FNO3
SMILES
COC(=O)C1=NOC(=C1)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H8FNO3/c1-15-11(14)9-6-10(16-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKey
BCBSUOISLUHEAN-UHFFFAOYSA-N
Compound name
methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04883 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05611 143.0
[M+Na]+ 244.03805 152.9
[M-H]- 220.04155 148.7
[M+NH4]+ 239.08265 160.6
[M+K]+ 260.01199 151.8
[M+H-H2O]+ 204.04609 135.2
[M+HCOO]- 266.04703 165.9
[M+CH3COO]- 280.06268 186.0
[M+Na-2H]- 242.02350 147.8
[M]+ 221.04828 145.6
[M]- 221.04938 145.6
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.