CID 248391
Ethyl 2,2-dichloro-2-ethoxyacetate
Structural Information
- Molecular Formula
- C6H10Cl2O3
- SMILES
- CCOC(=O)C(OCC)(Cl)Cl
- InChI
- InChI=1S/C6H10Cl2O3/c1-3-10-5(9)6(7,8)11-4-2/h3-4H2,1-2H3
- InChIKey
- LISFRSVACTWQKK-UHFFFAOYSA-N
- Compound name
- ethyl 2,2-dichloro-2-ethoxyacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.00798 | 136.2 |
[M+Na]+ | 222.98992 | 145.2 |
[M-H]- | 198.99342 | 136.4 |
[M+NH4]+ | 218.03452 | 157.0 |
[M+K]+ | 238.96386 | 142.7 |
[M+H-H2O]+ | 182.99796 | 134.0 |
[M+HCOO]- | 244.99890 | 149.0 |
[M+CH3COO]- | 259.01455 | 181.4 |
[M+Na-2H]- | 220.97537 | 141.9 |
[M]+ | 200.00015 | 142.6 |
[M]- | 200.00125 | 142.6 |