CID 165861060
3-(4,4-difluorocyclohexyl)-2-oxopropanoic acid
Structural Information
- Molecular Formula
- C9H12F2O3
- SMILES
- C1CC(CCC1CC(=O)C(=O)O)(F)F
- InChI
- InChI=1S/C9H12F2O3/c10-9(11)3-1-6(2-4-9)5-7(12)8(13)14/h6H,1-5H2,(H,13,14)
- InChIKey
- FLMVOSKYOQTKME-UHFFFAOYSA-N
- Compound name
- 3-(4,4-difluorocyclohexyl)-2-oxopropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.08273 | 141.6 |
[M+Na]+ | 229.06467 | 147.4 |
[M-H]- | 205.06817 | 140.6 |
[M+NH4]+ | 224.10927 | 161.3 |
[M+K]+ | 245.03861 | 145.9 |
[M+H-H2O]+ | 189.07271 | 135.5 |
[M+HCOO]- | 251.07365 | 157.1 |
[M+CH3COO]- | 265.08930 | 182.0 |
[M+Na-2H]- | 227.05012 | 143.2 |
[M]+ | 206.07490 | 135.3 |
[M]- | 206.07600 | 135.3 |
Literature stripe
No literature data available for this compound.