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

7
Patents

208.02843 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03571 138.4
[M+Na]+ 231.01765 148.5
[M-H]- 207.02115 141.5
[M+NH4]+ 226.06225 154.3
[M+K]+ 246.99159 146.8
[M+H-H2O]+ 191.02569 130.1
[M+HCOO]- 253.02663 159.0
[M+CH3COO]- 267.04228 180.9
[M+Na-2H]- 229.00310 143.6
[M]+ 208.02788 139.0
[M]- 208.02898 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