CID 22309061

954230-39-8

Structural Information

Molecular Formula
C13H12FNO3
SMILES
CCOC(=O)C1=C(ON=C1C2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H12FNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKey
QQZTUBJEZZHCKF-UHFFFAOYSA-N
Compound name
ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

249.08012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08740 152.3
[M+Na]+ 272.06934 162.1
[M-H]- 248.07284 157.9
[M+NH4]+ 267.11394 169.0
[M+K]+ 288.04328 160.6
[M+H-H2O]+ 232.07738 144.3
[M+HCOO]- 294.07832 174.4
[M+CH3COO]- 308.09397 193.2
[M+Na-2H]- 270.05479 155.3
[M]+ 249.07957 156.0
[M]- 249.08067 156.0
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