CID 146048448

2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H8F3NO4
SMILES
COC1=CC=C(C=C1)C2=NC(=C(O2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C12H8F3NO4/c1-19-7-4-2-6(3-5-7)10-16-8(11(17)18)9(20-10)12(13,14)15/h2-5H,1H3,(H,17,18)
InChIKey
JVVGKFFOGOUHLI-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04053 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.047806 156.2
[M+Na]+ 310.029748 166.2
[M-H]- 286.033254 158.2
[M+NH4]+ 305.074353 170.4
[M+K]+ 326.003688 164.3
[M+H-H2O]+ 270.037790 147.2
[M+HCOO]- 332.038731 173.5
[M+CH3COO]- 346.054381 195.8
[M+Na-2H]- 308.015196 159.2
[M]+ 287.03998142 156.2
[M]- 287.04107858 156.2
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.