CID 7130711

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)O)F
InChI
InChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKey
BUMRHSFCLPSTJE-UHFFFAOYSA-N
Compound name
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

236.05972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06700 147.8
[M+Na]+ 259.04894 157.0
[M-H]- 235.05244 150.5
[M+NH4]+ 254.09354 162.5
[M+K]+ 275.02288 154.8
[M+H-H2O]+ 219.05698 139.1
[M+HCOO]- 281.05792 167.7
[M+CH3COO]- 295.07357 186.9
[M+Na-2H]- 257.03439 151.9
[M]+ 236.05917 149.0
[M]- 236.06027 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe