CID 11539210
Schembl3399070
Structural Information
- Molecular Formula
- C12H10F13N2
- SMILES
- C[N+]1=CN(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C12H10F13N2/c1-26-4-5-27(6-26)3-2-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4-6H,2-3H2,1H3/q+1
- InChIKey
- LPLXWQSSQAKOTM-UHFFFAOYSA-N
- Compound name
- 1-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 430.07091 | 180.9 |
[M+Na]+ | 452.05285 | 190.5 |
[M-H]- | 428.05635 | 168.3 |
[M+NH4]+ | 447.09745 | 189.2 |
[M+K]+ | 468.02679 | 181.1 |
[M+H-H2O]+ | 412.06089 | 168.2 |
[M+HCOO]- | 474.06183 | 179.5 |
[M+CH3COO]- | 488.07748 | 219.9 |
[M+Na-2H]- | 450.03830 | 186.5 |
[M]+ | 429.06308 | 161.5 |
[M]- | 429.06418 | 161.5 |
Literature stripe
No literature data available for this compound.