Measured Mass (m/z) | Nitrogen Rule | No. of Nitrogen(s)* | Proposed Formula | Electron Paring | Calculated Mass (m/z) | Error** (ppm) |
370.0842 | ON | 3 | C16H15F3N3O2S+ | [M+H]+ | 370.0832 | 2.7 |
352.0731 | ON | 3 | C16H13F3N3OS+ | EE | 352.0726 | 1.4 |
252.0304 | ON | 1 | C9H9F3NO2S+ | EE | 252.0301 | 1.2 |
235.0274 | ON | 1 | C9H8F3NOS•+ | OE | 235.0273 | 0.4 |
234.0198 | ON | 1 | C9H7F3NOS•+ | OE | 234.0195 | 1.3 |
205.0713 | ON | 1 | C9H10F3NO•+ | OE | 205.0709 | 2.0 |
204.0634 | ON | 1 | C9H9F3NO+ | EE | 204.0631 | 1.5 |
190.0472 | ON | 1 | C8H7F3NO+ | EE | 190.0474 | −1.1 |
136.0761 | ON | 1 | C8H10NO+ | EE | 136.0757 | 2.9 |
119.0609 | EN | 2 | C7H7N2+ | EE | 119.0604 | 4.2 |