CID 167740489
2-{4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl}propanoic acid
Structural Information
- Molecular Formula
- C12H9F3N2O3
- SMILES
- CC(C1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C12H9F3N2O3/c1-6(10(18)19)7-2-4-8(5-3-7)9-16-11(20-17-9)12(13,14)15/h2-6H,1H3,(H,18,19)
- InChIKey
- GEZWINOQBPCIOX-UHFFFAOYSA-N
- Compound name
- 2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.06380 | 157.7 |
[M+Na]+ | 309.04574 | 166.7 |
[M-H]- | 285.04924 | 158.1 |
[M+NH4]+ | 304.09034 | 170.3 |
[M+K]+ | 325.01968 | 164.4 |
[M+H-H2O]+ | 269.05378 | 147.8 |
[M+HCOO]- | 331.05472 | 172.5 |
[M+CH3COO]- | 345.07037 | 196.0 |
[M+Na-2H]- | 307.03119 | 160.0 |
[M]+ | 286.05597 | 155.8 |
[M]- | 286.05707 | 155.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.