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

44
Patents

235.06447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07175 147.8
[M+Na]+ 258.05369 157.2
[M-H]- 234.05719 153.3
[M+NH4]+ 253.09829 164.8
[M+K]+ 274.02763 155.9
[M+H-H2O]+ 218.06173 139.8
[M+HCOO]- 280.06267 170.3
[M+CH3COO]- 294.07832 188.9
[M+Na-2H]- 256.03914 152.1
[M]+ 235.06392 150.8
[M]- 235.06502 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