CID 139595090
Qapfsmi n=2
Structural Information
- Molecular Formula
- C12H24F5N2O6S2
- SMILES
- C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(F)(F)F)(F)F)CCO
- InChI
- InChI=1S/C12H23F5N2O6S2/c1-19(2,8-9-20)7-3-5-18(6-4-10-26(21,22)23)27(24,25)12(16,17)11(13,14)15/h20H,3-10H2,1-2H3/p+1
- InChIKey
- GMCPYOZYFBZIFS-UHFFFAOYSA-O
- Compound name
- 2-hydroxyethyl-dimethyl-[3-[1,1,2,2,2-pentafluoroethylsulfonyl(3-sulfopropyl)amino]propyl]azanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 452.10688 | 189.8 |
[M+Na]+ | 474.08882 | 193.6 |
[M-H]- | 450.09232 | 193.2 |
[M+NH4]+ | 469.13342 | 195.6 |
[M+K]+ | 490.06276 | 192.2 |
[M+H-H2O]+ | 434.09686 | 177.5 |
[M+HCOO]- | 496.09780 | 207.7 |
[M+CH3COO]- | 510.11345 | 219.5 |
[M+Na-2H]- | 472.07427 | 182.1 |
[M]+ | 451.09905 | 190.9 |
[M]- | 451.10015 | 190.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.