CID 2724013
83878-01-7
Structural Information
- Molecular Formula
- C6H8Cl2O3
- SMILES
- C1CC(=O)C(C(C1)(Cl)Cl)(O)O
- InChI
- InChI=1S/C6H8Cl2O3/c7-5(8)3-1-2-4(9)6(5,10)11/h10-11H,1-3H2
- InChIKey
- CMFHEHLGXLKUKA-UHFFFAOYSA-N
- Compound name
- 3,3-dichloro-2,2-dihydroxycyclohexan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 198.99233 | 130.8 |
[M+Na]+ | 220.97427 | 140.6 |
[M-H]- | 196.97777 | 132.0 |
[M+NH4]+ | 216.01887 | 154.2 |
[M+K]+ | 236.94821 | 136.2 |
[M+H-H2O]+ | 180.98231 | 130.5 |
[M+HCOO]- | 242.98325 | 140.7 |
[M+CH3COO]- | 256.99890 | 173.9 |
[M+Na-2H]- | 218.95972 | 137.2 |
[M]+ | 197.98450 | 129.7 |
[M]- | 197.98560 | 129.7 |
Literature stripe
No literature data available for this compound.