CID 2775160
131771-31-8
Structural Information
- Molecular Formula
- C14H10F17IO
- SMILES
- C1C(C(CO1)CI)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C14H10F17IO/c15-7(16,1-5-3-33-4-6(5)2-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,1-4H2
- InChIKey
- QBAODHXWEYFWJU-UHFFFAOYSA-N
- Compound name
- 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-(iodomethyl)oxolane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 644.95778 | 209.3 |
[M+Na]+ | 666.93972 | 211.3 |
[M-H]- | 642.94322 | 190.9 |
[M+NH4]+ | 661.98432 | 219.1 |
[M+K]+ | 682.91366 | 212.9 |
[M+H-H2O]+ | 626.94776 | 191.9 |
[M+HCOO]- | 688.94870 | 233.7 |
[M+CH3COO]- | 702.96435 | 247.0 |
[M+Na-2H]- | 664.92517 | 200.8 |
[M]+ | 643.94995 | 182.8 |
[M]- | 643.95105 | 182.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.