CID 5273019

5-fluoro-3'-deoxyuridine

Structural Information

Molecular Formula
C9H11FN2O5
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=O)NC2=O)F)CO
InChI
InChI=1S/C9H11FN2O5/c10-5-2-12(9(16)11-7(5)15)8-6(14)1-4(3-13)17-8/h2,4,6,8,13-14H,1,3H2,(H,11,15,16)/t4-,6+,8+/m0/s1
InChIKey
RBUINSFJQSHMRE-CVTKMRTPSA-N
Compound name
5-fluoro-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

246.0652 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07248 148.3
[M+Na]+ 269.05442 158.3
[M-H]- 245.05792 148.9
[M+NH4]+ 264.09902 161.8
[M+K]+ 285.02836 155.3
[M+H-H2O]+ 229.06246 140.8
[M+HCOO]- 291.06340 164.3
[M+CH3COO]- 305.07905 183.8
[M+Na-2H]- 267.03987 149.7
[M]+ 246.06465 146.3
[M]- 246.06575 146.3
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