| Measured Mass (m/z) | Nitrogen Rule | No. of Nitrogen(s)* | Proposed Formula | Electron Paring | Calculated Mass (m/z) | Error** (ppm) |
| 386.0781 | ON | 3 | C16H15F3N3O3S+ | [M+H]+ | 386.0781 | 0.0 |
| 268.0256 | ON | 1 | C9H9F3NO3S+ | EE | 268.0250 | 2.2 |
| 250.0148 | ON | 1 | C9H7F3NO2S+ | EE | 250.0144 | 1.6 |
| 220.0581 | ON | 1 | C9H9F3NO2+ | EE | 220.0580 | 0.5 |
| 204.0636 | ON | 1 | C9H9F3NO+ | EE | 204.0631 | 2.5 |
| 190.0472 | ON | 1 | C8H7F3NO+ | EE | 190.0474 | −1.1 |
| 152.0704 | ON | 1 | C8H10NO2+ | EE | 152.0706 | −1.3 |
| 119.0605 | EN | 2 | C7H7N2+ | EE | 119.0604 | 0.8 |