CID 2775080
Bromocyclododecane
Structural Information
- Molecular Formula
- C12H23Br
- SMILES
- C1CCCCCC(CCCCC1)Br
- InChI
- InChI=1S/C12H23Br/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
- InChIKey
- IADKAKQBSKWITE-UHFFFAOYSA-N
- Compound name
- bromocyclododecane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 247.10559 | 153.8 |
[M+Na]+ | 269.08753 | 159.2 |
[M-H]- | 245.09103 | 156.3 |
[M+NH4]+ | 264.13213 | 171.7 |
[M+K]+ | 285.06147 | 150.0 |
[M+H-H2O]+ | 229.09557 | 157.1 |
[M+HCOO]- | 291.09651 | 168.2 |
[M+CH3COO]- | 305.11216 | 184.4 |
[M+Na-2H]- | 267.07298 | 156.8 |
[M]+ | 246.09776 | 161.4 |
[M]- | 246.09886 | 161.4 |