CID 162396465
Dtxsid001032501
Structural Information
- Molecular Formula
- C12H12F15N
- SMILES
- C(CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCN
- InChI
- InChI=1S/C12H12F15N/c13-6(14,4-2-1-3-5-28)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1-5,28H2
- InChIKey
- BRYAEZYBDVYGFK-UHFFFAOYSA-N
- Compound name
- 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododecan-1-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 456.08031 | 192.7 |
[M+Na]+ | 478.06225 | 172.1 |
[M-H]- | 454.06575 | 168.8 |
[M+NH4]+ | 473.10685 | 170.1 |
[M+K]+ | 494.03619 | 195.7 |
[M+H-H2O]+ | 438.07029 | 177.4 |
[M+HCOO]- | 500.07123 | 183.1 |
[M+CH3COO]- | 514.08688 | 234.3 |
[M+Na-2H]- | 476.04770 | 193.4 |
[M]+ | 455.07248 | 161.2 |
[M]- | 455.07358 | 161.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.