CID 139417
13271-49-3
Structural Information
- Molecular Formula
- C8H11BrO
- SMILES
- CC1(CC(=CC(=O)C1)Br)C
- InChI
- InChI=1S/C8H11BrO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
- InChIKey
- LPZGJNIBSGPOED-UHFFFAOYSA-N
- Compound name
- 3-bromo-5,5-dimethylcyclohex-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 203.00661 | 132.5 |
[M+Na]+ | 224.98855 | 144.5 |
[M-H]- | 200.99205 | 139.2 |
[M+NH4]+ | 220.03315 | 157.5 |
[M+K]+ | 240.96249 | 134.4 |
[M+H-H2O]+ | 184.99659 | 134.4 |
[M+HCOO]- | 246.99753 | 152.6 |
[M+CH3COO]- | 261.01318 | 182.6 |
[M+Na-2H]- | 222.97400 | 140.3 |
[M]+ | 201.99878 | 149.8 |
[M]- | 201.99988 | 149.8 |