CID 92434
Triflusulfuron-methyl
Structural Information
- Molecular Formula
- C17H19F3N6O6S
- SMILES
- CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C
- InChI
- InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
- InChIKey
- IMEVJVISCHQJRM-UHFFFAOYSA-N
- Compound name
- methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 493.11116 | 206.5 |
[M+Na]+ | 515.09310 | 212.6 |
[M-H]- | 491.09660 | 207.4 |
[M+NH4]+ | 510.13770 | 209.5 |
[M+K]+ | 531.06704 | 210.2 |
[M+H-H2O]+ | 475.10114 | 194.0 |
[M+HCOO]- | 537.10208 | 217.7 |
[M+CH3COO]- | 551.11773 | 243.7 |
[M+Na-2H]- | 513.07855 | 209.3 |
[M]+ | 492.10333 | 210.3 |
[M]- | 492.10443 | 210.3 |