CID 389397

Nsc685465

Structural Information

Molecular Formula
C10H12F2N2O6
SMILES
C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)F)O)F
InChI
InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)
InChIKey
BXHWKGLMPCAUQA-UHFFFAOYSA-N
Compound name
5-fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.06635 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07363 161.5
[M+Na]+ 317.05557 171.4
[M-H]- 293.05907 159.5
[M+NH4]+ 312.10017 170.7
[M+K]+ 333.02951 167.7
[M+H-H2O]+ 277.06361 152.3
[M+HCOO]- 339.06455 172.4
[M+CH3COO]- 353.08020 193.5
[M+Na-2H]- 315.04102 161.3
[M]+ 294.06580 157.1
[M]- 294.06690 157.1
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.