CID 511988

5-(2,3,3,4,4,5,5-heptafluoro-cyclopent-1-enyl)-1-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H11F7N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=C(C(C(C3(F)F)(F)F)(F)F)F)CO)O
InChI
InChI=1S/C14H11F7N2O5/c15-9-8(12(16,17)14(20,21)13(9,18)19)4-2-23(11(27)22-10(4)26)7-1-5(25)6(3-24)28-7/h2,5-7,24-25H,1,3H2,(H,22,26,27)/t5-,6+,7+/m0/s1
InChIKey
HBEWTGAPDNJOPE-RRKCRQDMSA-N
Compound name
5-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.05563 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.06291 172.9
[M+Na]+ 443.04485 187.7
[M-H]- 419.04835 171.2
[M+NH4]+ 438.08945 187.6
[M+K]+ 459.01879 182.1
[M+H-H2O]+ 403.05289 164.0
[M+HCOO]- 465.05383 182.0
[M+CH3COO]- 479.06948 216.3
[M+Na-2H]- 441.03030 170.3
[M]+ 420.05508 166.7
[M]- 420.05618 166.7
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.