CID 79022214
6-chloro-7-fluoro-3,4-dihydro-2h-1-benzopyran-4-one
Structural Information
- Molecular Formula
- C9H6ClFO2
- SMILES
- C1COC2=CC(=C(C=C2C1=O)Cl)F
- InChI
- InChI=1S/C9H6ClFO2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2
- InChIKey
- NCJQKDQIJMTYJK-UHFFFAOYSA-N
- Compound name
- 6-chloro-7-fluoro-2,3-dihydrochromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.01131 | 134.2 |
[M+Na]+ | 222.99325 | 145.1 |
[M-H]- | 198.99675 | 138.5 |
[M+NH4]+ | 218.03785 | 154.6 |
[M+K]+ | 238.96719 | 142.0 |
[M+H-H2O]+ | 183.00129 | 128.9 |
[M+HCOO]- | 245.00223 | 150.0 |
[M+CH3COO]- | 259.01788 | 182.6 |
[M+Na-2H]- | 220.97870 | 141.6 |
[M]+ | 200.00348 | 135.0 |
[M]- | 200.00458 | 135.0 |
Literature stripe
No literature data available for this compound.