CID 54692257
Chembl436212
Structural Information
- Molecular Formula
- C11H7F3N2O6
- SMILES
- C1=C(C(=O)NC(=O)N1C/C=C\2/C(=C(C(=O)O2)O)O)C(F)(F)F
- InChI
- InChI=1S/C11H7F3N2O6/c12-11(13,14)4-3-16(10(21)15-8(4)19)2-1-5-6(17)7(18)9(20)22-5/h1,3,17-18H,2H2,(H,15,19,21)/b5-1-
- InChIKey
- GVZZUUQQSFUADF-KTAJNNJTSA-N
- Compound name
- 1-[(2Z)-2-(3,4-dihydroxy-5-oxofuran-2-ylidene)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.03291 | 162.1 |
[M+Na]+ | 343.01485 | 173.9 |
[M-H]- | 319.01835 | 160.8 |
[M+NH4]+ | 338.05945 | 172.6 |
[M+K]+ | 358.98879 | 169.5 |
[M+H-H2O]+ | 303.02289 | 153.4 |
[M+HCOO]- | 365.02383 | 175.6 |
[M+CH3COO]- | 379.03948 | 196.4 |
[M+Na-2H]- | 341.00030 | 162.9 |
[M]+ | 320.02508 | 159.7 |
[M]- | 320.02618 | 159.7 |
Literature stripe
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