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

2
Patents

258.02524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.032516 148.6
[M+Na]+ 281.014458 158.8
[M-H]- 257.017964 149.1
[M+NH4]+ 276.059063 162.4
[M+K]+ 296.988398 156.4
[M+H-H2O]+ 241.022500 138.9
[M+HCOO]- 303.023441 165.1
[M+CH3COO]- 317.039091 189.1
[M+Na-2H]- 278.999906 153.0
[M]+ 258.02469142 146.6
[M]- 258.02578858 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

patents stripe