CID 138046060
6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
Structural Information
- Molecular Formula
- C7H8F2O2
- SMILES
- C1CC2C(C1C(=O)O)C2(F)F
- InChI
- InChI=1S/C7H8F2O2/c8-7(9)4-2-1-3(5(4)7)6(10)11/h3-5H,1-2H2,(H,10,11)
- InChIKey
- WGLFEUAWPWVCGR-UHFFFAOYSA-N
- Compound name
- 6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.05652 | 126.2 |
[M+Na]+ | 185.03846 | 137.4 |
[M-H]- | 161.04196 | 128.3 |
[M+NH4]+ | 180.08306 | 146.2 |
[M+K]+ | 201.01240 | 134.3 |
[M+H-H2O]+ | 145.04650 | 121.3 |
[M+HCOO]- | 207.04744 | 144.5 |
[M+CH3COO]- | 221.06309 | 178.4 |
[M+Na-2H]- | 183.02391 | 130.6 |
[M]+ | 162.04869 | 125.8 |
[M]- | 162.04979 | 125.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.