CID 112756776
5-fluoro-1-(propan-2-yl)-1h-pyrazole-4-sulfonyl chloride
Structural Information
- Molecular Formula
- C6H8ClFN2O2S
- SMILES
- CC(C)N1C(=C(C=N1)S(=O)(=O)Cl)F
- InChI
- InChI=1S/C6H8ClFN2O2S/c1-4(2)10-6(8)5(3-9-10)13(7,11)12/h3-4H,1-2H3
- InChIKey
- HSXKZAOXPJMEIQ-UHFFFAOYSA-N
- Compound name
- 5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.00519 | 141.1 |
[M+Na]+ | 248.98713 | 152.9 |
[M-H]- | 224.99063 | 142.1 |
[M+NH4]+ | 244.03173 | 160.3 |
[M+K]+ | 264.96107 | 149.4 |
[M+H-H2O]+ | 208.99517 | 135.3 |
[M+HCOO]- | 270.99611 | 152.1 |
[M+CH3COO]- | 285.01176 | 183.9 |
[M+Na-2H]- | 246.97258 | 142.2 |
[M]+ | 225.99736 | 145.5 |
[M]- | 225.99846 | 145.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.