CID 5274085

141724-69-8

Structural Information

Molecular Formula
C11H12BrFN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)F
InChI
InChI=1S/C11H12BrFN2O4/c12-2-1-6-4-15(11(18)14-10(6)17)9-3-7(13)8(5-16)19-9/h1-2,4,7-9,16H,3,5H2,(H,14,17,18)/b2-1+/t7-,8+,9+/m0/s1
InChIKey
IDRYAPXAQPCLRK-PIXDULNESA-N
Compound name
5-[(E)-2-bromoethenyl]-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

0
References

6
Patents

333.99646 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.00374 163.9
[M+Na]+ 356.98568 176.5
[M-H]- 332.98918 168.0
[M+NH4]+ 352.03028 178.5
[M+K]+ 372.95962 164.3
[M+H-H2O]+ 316.99372 162.1
[M+HCOO]- 378.99466 178.6
[M+CH3COO]- 393.01031 197.8
[M+Na-2H]- 354.97113 165.7
[M]+ 333.99591 180.8
[M]- 333.99701 180.8
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

patents stripe