CID 44630272
2,12-dichlorocyclododecanone
Structural Information
- Molecular Formula
- C12H20Cl2O
- SMILES
- C1CCCCC(C(=O)C(CCCC1)Cl)Cl
- InChI
- InChI=1S/C12H20Cl2O/c13-10-8-6-4-2-1-3-5-7-9-11(14)12(10)15/h10-11H,1-9H2
- InChIKey
- MEHFXKFLCAZPSE-UHFFFAOYSA-N
- Compound name
- 2,12-dichlorocyclododecan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 251.09641 | 156.0 |
[M+Na]+ | 273.07835 | 161.4 |
[M-H]- | 249.08185 | 155.9 |
[M+NH4]+ | 268.12295 | 171.8 |
[M+K]+ | 289.05229 | 157.1 |
[M+H-H2O]+ | 233.08639 | 154.8 |
[M+HCOO]- | 295.08733 | 163.4 |
[M+CH3COO]- | 309.10298 | 185.6 |
[M+Na-2H]- | 271.06380 | 155.4 |
[M]+ | 250.08858 | 149.0 |
[M]- | 250.08968 | 149.0 |
Literature stripe
No literature data available for this compound.