CID 451781

Fddclcyd

Structural Information

Molecular Formula
C9H11ClFN3O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)CO)F
InChI
InChI=1S/C9H11ClFN3O3/c10-4-2-14(9(16)13-8(4)12)7-1-5(11)6(3-15)17-7/h2,5-7,15H,1,3H2,(H2,12,13,16)/t5-,6+,7+/m0/s1
InChIKey
DKTULUNJRRRNTA-RRKCRQDMSA-N
Compound name
4-amino-5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36
Patents

263.0473 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05458 154.2
[M+Na]+ 286.03652 164.9
[M-H]- 262.04002 156.6
[M+NH4]+ 281.08112 168.8
[M+K]+ 302.01046 160.8
[M+H-H2O]+ 246.04456 146.5
[M+HCOO]- 308.04550 168.4
[M+CH3COO]- 322.06115 192.9
[M+Na-2H]- 284.02197 155.2
[M]+ 263.04675 153.9
[M]- 263.04785 153.9
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

patents stripe