CID 5790
Floxuridine
Structural Information
- Molecular Formula
- C9H11FN2O5
- SMILES
- C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O
- InChI
- InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
- InChIKey
- ODKNJVUHOIMIIZ-RRKCRQDMSA-N
- Compound name
- 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 247.07248 | 148.3 |
[M+Na]+ | 269.05442 | 158.3 |
[M-H]- | 245.05792 | 148.9 |
[M+NH4]+ | 264.09902 | 161.8 |
[M+K]+ | 285.02836 | 155.3 |
[M+H-H2O]+ | 229.06246 | 140.8 |
[M+HCOO]- | 291.06340 | 164.3 |
[M+CH3COO]- | 305.07905 | 183.8 |
[M+Na-2H]- | 267.03987 | 149.7 |
[M]+ | 246.06465 | 146.3 |
[M]- | 246.06575 | 146.3 |