CID 86812213

1803587-52-1

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]+ 222.056106 143.0
[M+Na]+ 244.038048 152.9
[M-H]- 220.041554 148.7
[M+NH4]+ 239.082653 160.6
[M+K]+ 260.011988 151.8
[M+H-H2O]+ 204.046090 135.2
[M+HCOO]- 266.047031 165.9
[M+CH3COO]- 280.062681 186.0
[M+Na-2H]- 242.023496 147.8
[M]+ 221.04828142 145.6
[M]- 221.04937858 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.