CID 466413

5-bromo-1-(2,3-dideoxy-2-fluoro-.alpha.-l-threo-pentofuranosyl)uracil

Structural Information

Molecular Formula
C9H10BrFN2O4
SMILES
C1[C@@H](O[C@H]([C@@H]1F)N2C=C(C(=O)NC2=O)Br)CO
InChI
InChI=1S/C9H10BrFN2O4/c10-5-2-13(9(16)12-7(5)15)8-6(11)1-4(3-14)17-8/h2,4,6,8,14H,1,3H2,(H,12,15,16)/t4-,6-,8-/m1/s1
InChIKey
UQOGNKCHQVUKHD-UEYSZJFGSA-N
Compound name
5-bromo-1-[(2R,3R,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.9808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.98808 155.9
[M+Na]+ 330.97002 169.0
[M-H]- 306.97352 160.3
[M+NH4]+ 326.01462 171.5
[M+K]+ 346.94396 157.8
[M+H-H2O]+ 290.97806 154.4
[M+HCOO]- 352.97900 171.1
[M+CH3COO]- 366.99465 193.5
[M+Na-2H]- 328.95547 158.7
[M]+ 307.98025 172.9
[M]- 307.98135 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.