CID 453020

2'-f-ribo-flt

Structural Information

Molecular Formula
C10H12F2N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)F
InChI
InChI=1S/C10H12F2N2O4/c1-4-2-14(10(17)13-8(4)16)9-7(12)6(11)5(3-15)18-9/h2,5-7,9,15H,3H2,1H3,(H,13,16,17)/t5-,6-,7-,9-/m1/s1
InChIKey
WZJLGLRFQDVYET-JXOAFFINSA-N
Compound name
1-[(2R,3S,4R,5R)-3,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.0765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08378 152.3
[M+Na]+ 285.06572 163.5
[M-H]- 261.06922 153.1
[M+NH4]+ 280.11032 166.2
[M+K]+ 301.03966 160.0
[M+H-H2O]+ 245.07376 143.9
[M+HCOO]- 307.07470 168.2
[M+CH3COO]- 321.09035 190.8
[M+Na-2H]- 283.05117 152.3
[M]+ 262.07595 150.4
[M]- 262.07705 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.