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

3960
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 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

literature stripe

Patent stripe

patents stripe