CID 16227550

3-{5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}propanoic acid

Structural Information

Molecular Formula
C12H9F3N2O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCC(=O)O
InChI
InChI=1S/C12H9F3N2O3/c13-12(14,15)8-3-1-2-7(6-8)11-17-16-9(20-11)4-5-10(18)19/h1-3,6H,4-5H2,(H,18,19)
InChIKey
LYDRUDYVVJYTDJ-UHFFFAOYSA-N
Compound name
3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.05652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06380 165.0
[M+Na]+ 309.04574 173.5
[M+NH4]+ 304.09034 168.2
[M+K]+ 325.01968 171.6
[M-H]- 285.04924 161.9
[M+Na-2H]- 307.03119 167.8
[M]+ 286.05597 164.8
[M]- 286.05707 164.8
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

No patent data available for this compound.