CID 119182

Clofarabine

Structural Information

Molecular Formula
C10H11ClFN5O3
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N
InChI
InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChIKey
WDDPHFBMKLOVOX-AYQXTPAHSA-N
Compound name
(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

555
References

45324
Patents

303.05344 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06072 162.4
[M+Na]+ 326.04266 173.3
[M+NH4]+ 321.08726 167.1
[M+K]+ 342.01660 173.8
[M-H]- 302.04616 162.1
[M+Na-2H]- 324.02811 164.0
[M]+ 303.05289 163.6
[M]- 303.05399 163.6
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