CID 91188
2,12-dibromocyclododecanone
Structural Information
- Molecular Formula
- C12H20Br2O
- SMILES
- C1CCCCC(C(=O)C(CCCC1)Br)Br
- InChI
- InChI=1S/C12H20Br2O/c13-10-8-6-4-2-1-3-5-7-9-11(14)12(10)15/h10-11H,1-9H2
- InChIKey
- CLAFKWVRFMBEBC-UHFFFAOYSA-N
- Compound name
- 2,12-dibromocyclododecan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.99538 | 157.3 |
[M+Na]+ | 360.97732 | 164.6 |
[M-H]- | 336.98082 | 161.5 |
[M+NH4]+ | 356.02192 | 173.1 |
[M+K]+ | 376.95126 | 150.4 |
[M+H-H2O]+ | 320.98536 | 168.3 |
[M+HCOO]- | 382.98630 | 168.1 |
[M+CH3COO]- | 397.00195 | 204.2 |
[M+Na-2H]- | 358.96277 | 159.6 |
[M]+ | 337.98755 | 183.4 |
[M]- | 337.98865 | 183.4 |