CID 133643
81265-32-9
Structural Information
- Molecular Formula
- C6H5F3N2O2
- SMILES
- C1=CN(C=N1)C(=O)OCC(F)(F)F
- InChI
- InChI=1S/C6H5F3N2O2/c7-6(8,9)3-13-5(12)11-2-1-10-4-11/h1-2,4H,3H2
- InChIKey
- VHSLGTPKFRBITL-UHFFFAOYSA-N
- Compound name
- 2,2,2-trifluoroethyl imidazole-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 195.03760 | 133.9 |
[M+Na]+ | 217.01954 | 143.2 |
[M-H]- | 193.02304 | 131.3 |
[M+NH4]+ | 212.06414 | 152.4 |
[M+K]+ | 232.99348 | 142.2 |
[M+H-H2O]+ | 177.02758 | 124.8 |
[M+HCOO]- | 239.02852 | 152.5 |
[M+CH3COO]- | 253.04417 | 178.3 |
[M+Na-2H]- | 215.00499 | 139.1 |
[M]+ | 194.02977 | 131.7 |
[M]- | 194.03087 | 131.7 |