CID 22832030

Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate

Structural Information

Molecular Formula
C12H10FNO3
SMILES
CCOC(=O)C1=NOC(=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKey
IYDBYHCVVNAFSM-UHFFFAOYSA-N
Compound name
ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

235.06447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.071746 147.8
[M+Na]+ 258.053688 157.2
[M-H]- 234.057194 153.3
[M+NH4]+ 253.098293 164.8
[M+K]+ 274.027628 155.9
[M+H-H2O]+ 218.061730 139.8
[M+HCOO]- 280.062671 170.3
[M+CH3COO]- 294.078321 188.9
[M+Na-2H]- 256.039136 152.1
[M]+ 235.06392142 150.8
[M]- 235.06501858 150.8
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