CID 53418215

Potassium 5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C10H5F3N2O3
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H5F3N2O3/c11-10(12,13)6-4-2-1-3-5(6)8-14-7(9(16)17)15-18-8/h1-4H,(H,16,17)
InChIKey
ZHYBAGAOAXOMKQ-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03252 148.6
[M+Na]+ 281.01446 158.8
[M-H]- 257.01796 149.1
[M+NH4]+ 276.05906 162.4
[M+K]+ 296.98840 156.4
[M+H-H2O]+ 241.02250 138.9
[M+HCOO]- 303.02344 165.1
[M+CH3COO]- 317.03909 189.1
[M+Na-2H]- 278.99991 153.0
[M]+ 258.02469 146.6
[M]- 258.02579 146.6
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.