CID 16074163

1-[2-bromo-4-hydroxy-3-hydroxymethyl-2-butenyl]-5-fluorouracil

Structural Information

Molecular Formula
C9H10BrFN2O4
SMILES
C1=C(C(=O)NC(=O)N1CC(=C(CO)CO)Br)F
InChI
InChI=1S/C9H10BrFN2O4/c10-6(5(3-14)4-15)1-13-2-7(11)8(16)12-9(13)17/h2,14-15H,1,3-4H2,(H,12,16,17)
InChIKey
WWBRTLDVBFVRAD-UHFFFAOYSA-N
Compound name
1-[2-bromo-4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.9808 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.98808 153.1
[M+Na]+ 330.97002 164.6
[M-H]- 306.97352 152.2
[M+NH4]+ 326.01462 167.3
[M+K]+ 346.94396 151.5
[M+H-H2O]+ 290.97806 151.3
[M+HCOO]- 352.97900 166.7
[M+CH3COO]- 366.99465 192.5
[M+Na-2H]- 328.95547 156.0
[M]+ 307.98025 169.3
[M]- 307.98135 169.3
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.