CID 9942889

5-fluoro-3'-deoxycytidine

Structural Information

Molecular Formula
C9H12FN3O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C9H12FN3O4/c10-5-2-13(9(16)12-7(5)11)8-6(15)1-4(3-14)17-8/h2,4,6,8,14-15H,1,3H2,(H2,11,12,16)/t4-,6+,8+/m0/s1
InChIKey
FARVDDXVBHNRIX-CVTKMRTPSA-N
Compound name
4-amino-5-fluoro-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

245.08118 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08846 150.6
[M+Na]+ 268.07040 160.1
[M-H]- 244.07390 152.1
[M+NH4]+ 263.11500 164.4
[M+K]+ 284.04434 157.5
[M+H-H2O]+ 228.07844 142.6
[M+HCOO]- 290.07938 168.2
[M+CH3COO]- 304.09503 189.2
[M+Na-2H]- 266.05585 151.9
[M]+ 245.08063 148.1
[M]- 245.08173 148.1
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.