CID 473282

5-bromo-1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H9BrF2N2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F)Br
InChI
InChI=1S/C9H9BrF2N2O5/c10-3-1-14(8(18)13-6(3)17)7-9(11,12)5(16)4(2-15)19-7/h1,4-5,7,15-16H,2H2,(H,13,17,18)/t4-,5-,7-/m0/s1
InChIKey
ZBQKEEPEYPQFAF-VPLCAKHXSA-N
Compound name
5-bromo-1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.96628 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.97356 158.8
[M+Na]+ 364.95550 172.9
[M-H]- 340.95900 161.3
[M+NH4]+ 360.00010 174.5
[M+K]+ 380.92944 161.3
[M+H-H2O]+ 324.96354 157.6
[M+HCOO]- 386.96448 171.8
[M+CH3COO]- 400.98013 197.0
[M+Na-2H]- 362.94095 161.7
[M]+ 341.96573 175.4
[M]- 341.96683 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.