CID 54594767

5-(2,3-difluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H4F2N2O3
SMILES
C1=CC(=C(C(=C1)F)F)C2=NC(=NO2)C(=O)O
InChI
InChI=1S/C9H4F2N2O3/c10-5-3-1-2-4(6(5)11)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15)
InChIKey
FSDGOAGYYVLIRP-UHFFFAOYSA-N
Compound name
5-(2,3-difluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.019 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02628 140.9
[M+Na]+ 249.00822 152.0
[M-H]- 225.01172 143.0
[M+NH4]+ 244.05282 156.3
[M+K]+ 264.98216 149.8
[M+H-H2O]+ 209.01626 131.9
[M+HCOO]- 271.01720 160.4
[M+CH3COO]- 285.03285 184.8
[M+Na-2H]- 246.99367 144.9
[M]+ 226.01845 140.8
[M]- 226.01955 140.8
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