CID 61496860
610791-42-9
Structural Information
- Molecular Formula
- C12H12F2O2
- SMILES
- C1CCC(C1)(C2=CC(=CC(=C2)F)F)C(=O)O
- InChI
- InChI=1S/C12H12F2O2/c13-9-5-8(6-10(14)7-9)12(11(15)16)3-1-2-4-12/h5-7H,1-4H2,(H,15,16)
- InChIKey
- LYNZEVPXFDEQTD-UHFFFAOYSA-N
- Compound name
- 1-(3,5-difluorophenyl)cyclopentane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.08782 | 146.4 |
[M+Na]+ | 249.06976 | 154.3 |
[M-H]- | 225.07326 | 149.5 |
[M+NH4]+ | 244.11436 | 167.5 |
[M+K]+ | 265.04370 | 150.7 |
[M+H-H2O]+ | 209.07780 | 139.5 |
[M+HCOO]- | 271.07874 | 165.5 |
[M+CH3COO]- | 285.09439 | 185.3 |
[M+Na-2H]- | 247.05521 | 148.1 |
[M]+ | 226.07999 | 141.3 |
[M]- | 226.08109 | 141.3 |
Literature stripe
No literature data available for this compound.