CID 3018793
Ethyl 7-chloro-2-oxoheptanoate
Structural Information
- Molecular Formula
- C9H15ClO3
- SMILES
- CCOC(=O)C(=O)CCCCCCl
- InChI
- InChI=1S/C9H15ClO3/c1-2-13-9(12)8(11)6-4-3-5-7-10/h2-7H2,1H3
- InChIKey
- YJJLIIMRHGRCFM-UHFFFAOYSA-N
- Compound name
- ethyl 7-chloro-2-oxoheptanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.07825 | 144.1 |
[M+Na]+ | 229.06019 | 151.1 |
[M-H]- | 205.06369 | 144.0 |
[M+NH4]+ | 224.10479 | 164.0 |
[M+K]+ | 245.03413 | 149.0 |
[M+H-H2O]+ | 189.06823 | 140.1 |
[M+HCOO]- | 251.06917 | 161.7 |
[M+CH3COO]- | 265.08482 | 185.2 |
[M+Na-2H]- | 227.04564 | 146.9 |
[M]+ | 206.07042 | 150.0 |
[M]- | 206.07152 | 150.0 |