CID 1479469

2260932-60-1

Structural Information

Molecular Formula
C9H5FN2O3
SMILES
C1=CC(=CC=C1C2=NC(=NO2)C(=O)O)F
InChI
InChI=1S/C9H5FN2O3/c10-6-3-1-5(2-4-6)8-11-7(9(13)14)12-15-8/h1-4H,(H,13,14)
InChIKey
KWUXWIDZUGRNQK-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.02843 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.035706 138.4
[M+Na]+ 231.017648 148.5
[M-H]- 207.021154 141.5
[M+NH4]+ 226.062253 154.3
[M+K]+ 246.991588 146.8
[M+H-H2O]+ 191.025690 130.1
[M+HCOO]- 253.026631 159.0
[M+CH3COO]- 267.042281 180.9
[M+Na-2H]- 229.003096 143.6
[M]+ 208.02788142 139.0
[M]- 208.02897858 139.0
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