CID 174264
Dtxsid30868650
Structural Information
- Molecular Formula
- C11H10F13NO5S2
- SMILES
- C(COC(=O)NCCSS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C11H10F13NO5S2/c12-6(13,1-3-30-5(26)25-2-4-31-32(27,28)29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,25,26)(H,27,28,29)
- InChIKey
- ORDIGWFKXCZFTD-UHFFFAOYSA-N
- Compound name
- 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfosulfanylethylcarbamoyloxy)octane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 547.98658 | 180.8 |
[M+Na]+ | 569.96852 | 183.0 |
[M-H]- | 545.97202 | 184.8 |
[M+NH4]+ | 565.01312 | 188.1 |
[M+K]+ | 585.94246 | 189.4 |
[M+H-H2O]+ | 529.97656 | 170.0 |
[M+HCOO]- | 591.97750 | 195.8 |
[M+CH3COO]- | 605.99315 | 236.6 |
[M+Na-2H]- | 567.95397 | 175.5 |
[M]+ | 546.97875 | 181.0 |
[M]- | 546.97985 | 181.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.