CID 451481

Uridine, 5-bromo-2',3'-dideoxy-3'-fluoro-

Structural Information

Molecular Formula
C9H10BrFN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)F
InChI
InChI=1S/C9H10BrFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1
InChIKey
BWBBMKFAGMRESB-RRKCRQDMSA-N
Compound name
5-bromo-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

58
Patents

307.9808 Da
Monoisotopic Mass

0.2
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

patents stripe