CID 43150134

3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H6F3NO3
SMILES
C1=CC(=CC=C1C2=NOC(=C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
InChIKey
WICSYMYKLPSQHW-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.02997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03725 158.0
[M+Na]+ 280.01919 167.0
[M+NH4]+ 275.06379 162.1
[M+K]+ 295.99313 164.9
[M-H]- 256.02269 155.7
[M+Na-2H]- 278.00464 161.4
[M]+ 257.02942 158.2
[M]- 257.03052 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe