CID 10856029
3-bromo-5,6-dihydro-2h-pyran-2-one
Structural Information
- Molecular Formula
- C5H5BrO2
- SMILES
- C1COC(=O)C(=C1)Br
- InChI
- InChI=1S/C5H5BrO2/c6-4-2-1-3-8-5(4)7/h2H,1,3H2
- InChIKey
- NDCHEWALMADBPH-UHFFFAOYSA-N
- Compound name
- 5-bromo-2,3-dihydropyran-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.95458 | 125.1 |
[M+Na]+ | 198.93652 | 136.5 |
[M-H]- | 174.94002 | 132.1 |
[M+NH4]+ | 193.98112 | 147.6 |
[M+K]+ | 214.91046 | 128.3 |
[M+H-H2O]+ | 158.94456 | 126.1 |
[M+HCOO]- | 220.94550 | 145.4 |
[M+CH3COO]- | 234.96115 | 175.2 |
[M+Na-2H]- | 196.92197 | 134.7 |
[M]+ | 175.94675 | 142.6 |
[M]- | 175.94785 | 142.6 |