CID 88488975

5-[1,2,2,2-tetrafluoro-1-(heptafluoropropoxy)ethyl]uridine

Structural Information

Molecular Formula
C14H11F11N2O7
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C14H11F11N2O7/c15-10(12(18,19)20,34-14(24,25)11(16,17)13(21,22)23)3-1-27(9(32)26-7(3)31)8-6(30)5(29)4(2-28)33-8/h1,4-6,8,28-30H,2H2,(H,26,31,32)/t4-,5-,6-,8-,10?/m1/s1
InChIKey
ULJNEXUPBGJFCH-VLCYITPWSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

528.03906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.04634 201.7
[M+Na]+ 551.02828 210.8
[M-H]- 527.03178 190.0
[M+NH4]+ 546.07288 202.9
[M+K]+ 567.00222 207.3
[M+H-H2O]+ 511.03632 188.8
[M+HCOO]- 573.03726 196.8
[M+CH3COO]- 587.05291 231.9
[M+Na-2H]- 549.01373 202.6
[M]+ 528.03851 186.9
[M]- 528.03961 186.9
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