CID 11219835

Ataluren

Structural Information

Molecular Formula
C15H9FN2O3
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F
InChI
InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChIKey
OOUGLTULBSNHNF-UHFFFAOYSA-N
Compound name
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

215
References

3158
Patents

284.05972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06700 160.4
[M+Na]+ 307.04894 170.1
[M-H]- 283.05244 166.7
[M+NH4]+ 302.09354 172.9
[M+K]+ 323.02288 166.4
[M+H-H2O]+ 267.05698 150.6
[M+HCOO]- 329.05792 180.3
[M+CH3COO]- 343.07357 172.4
[M+Na-2H]- 305.03439 163.9
[M]+ 284.05917 160.9
[M]- 284.06027 160.9
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