CID 13412526
Brn 5632127
Structural Information
- Molecular Formula
- C12H9F4N3O4
- SMILES
- CC1(C(=O)N(C(=O)N1[N+](=O)[O-])C2=CC(=C(C=C2)F)C(F)(F)F)C
- InChI
- InChI=1S/C12H9F4N3O4/c1-11(2)9(20)17(10(21)18(11)19(22)23)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3
- InChIKey
- FEDBTMGYAGWDBP-UHFFFAOYSA-N
- Compound name
- 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1-nitroimidazolidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 336.06020 | 163.1 |
[M+Na]+ | 358.04214 | 174.1 |
[M-H]- | 334.04564 | 163.8 |
[M+NH4]+ | 353.08674 | 177.7 |
[M+K]+ | 374.01608 | 166.4 |
[M+H-H2O]+ | 318.05018 | 158.5 |
[M+HCOO]- | 380.05112 | 179.5 |
[M+CH3COO]- | 394.06677 | 202.7 |
[M+Na-2H]- | 356.02759 | 167.0 |
[M]+ | 335.05237 | 158.0 |
[M]- | 335.05347 | 158.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.