CID 132371525
2155840-10-9
Structural Information
- Molecular Formula
- C7H9F3O2
- SMILES
- C1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C7H9F3O2/c8-7(9,10)5-3-1-2-4(5)6(11)12/h4-5H,1-3H2,(H,11,12)/t4-,5-/m1/s1
- InChIKey
- RKYLBCFPTQKTNH-RFZPGFLSSA-N
- Compound name
- (1R,2R)-2-(trifluoromethyl)cyclopentane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.06275 | 133.9 |
[M+Na]+ | 205.04469 | 141.0 |
[M-H]- | 181.04819 | 132.1 |
[M+NH4]+ | 200.08929 | 154.8 |
[M+K]+ | 221.01863 | 139.4 |
[M+H-H2O]+ | 165.05273 | 127.2 |
[M+HCOO]- | 227.05367 | 150.2 |
[M+CH3COO]- | 241.06932 | 176.5 |
[M+Na-2H]- | 203.03014 | 135.6 |
[M]+ | 182.05492 | 126.7 |
[M]- | 182.05602 | 126.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.