CID 101507

2'-deoxy-2'-fluorocytidine

Structural Information

Molecular Formula
C9H12FN3O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
InChIKey
NVZFZMCNALTPBY-XVFCMESISA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

3958
Patents

245.08118 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08846 152.9
[M+Na]+ 268.07040 162.0
[M+NH4]+ 263.11500 157.2
[M+K]+ 284.04434 161.4
[M-H]- 244.07390 152.8
[M+Na-2H]- 266.05585 154.6
[M]+ 245.08063 153.6
[M]- 245.08173 153.6
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