CID 80694809
1-(2-fluoroethyl)-1h-pyrazole-4-sulfonyl chloride
Structural Information
- Molecular Formula
- C5H6ClFN2O2S
- SMILES
- C1=C(C=NN1CCF)S(=O)(=O)Cl
- InChI
- InChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-8-9(4-5)2-1-7/h3-4H,1-2H2
- InChIKey
- PQBTVMMMQLFQEY-UHFFFAOYSA-N
- Compound name
- 1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 212.98953 | 137.7 |
[M+Na]+ | 234.97147 | 149.4 |
[M-H]- | 210.97497 | 138.4 |
[M+NH4]+ | 230.01607 | 157.2 |
[M+K]+ | 250.94541 | 145.7 |
[M+H-H2O]+ | 194.97951 | 131.5 |
[M+HCOO]- | 256.98045 | 150.0 |
[M+CH3COO]- | 270.99610 | 178.9 |
[M+Na-2H]- | 232.95692 | 140.8 |
[M]+ | 211.98170 | 141.9 |
[M]- | 211.98280 | 141.9 |
Literature stripe
No literature data available for this compound.