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]+ 288.04781 165.6
[M+Na]+ 310.02975 174.3
[M+NH4]+ 305.07435 169.1
[M+K]+ 326.00369 172.7
[M-H]- 286.03325 162.9
[M+Na-2H]- 308.01520 168.1
[M]+ 287.03998 165.7
[M]- 287.04108 165.7
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.