CID 16227505

5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H10FNO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H10FNO4/c1-2-17-12-9(11(15)16)14-10(18-12)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,15,16)
InChIKey
SCVRIWPTORCFOF-UHFFFAOYSA-N
Compound name
5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06667 150.7
[M+Na]+ 274.04861 160.3
[M-H]- 250.05211 155.1
[M+NH4]+ 269.09321 166.4
[M+K]+ 290.02255 158.7
[M+H-H2O]+ 234.05665 142.9
[M+HCOO]- 296.05759 171.8
[M+CH3COO]- 310.07324 190.5
[M+Na-2H]- 272.03406 153.9
[M]+ 251.05884 153.7
[M]- 251.05994 153.7
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.