CID 131845058
Dtxsid10896158
Structural Information
- Molecular Formula
- C24H21F21O3S
- SMILES
- CCCCCCOC1=CC=C(C=C1)S(=O)(=O)CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C24H21F21O3S/c1-2-3-4-5-11-48-13-6-8-14(9-7-13)49(46,47)12-10-15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)45/h6-9H,2-5,10-12H2,1H3
- InChIKey
- VQOJLJBNCWMMCA-UHFFFAOYSA-N
- Compound name
- 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfonyl)-4-hexoxybenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 789.09488 | 216.3 |
[M+Na]+ | 811.07682 | 219.2 |
[M-H]- | 787.08032 | 223.4 |
[M+NH4]+ | 806.12142 | 228.5 |
[M+K]+ | 827.05076 | 232.4 |
[M+H-H2O]+ | 771.08486 | 203.2 |
[M+HCOO]- | 833.08580 | 236.6 |
[M+CH3COO]- | 847.10145 | 274.5 |
[M+Na-2H]- | 809.06227 | 212.5 |
[M]+ | 788.08705 | 218.0 |
[M]- | 788.08815 | 218.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.