CID 197610

150863-84-6

Structural Information

Molecular Formula
C10H10ClFN4O3
SMILES
C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C10H10ClFN4O3/c11-8-6-9(14-2-13-8)16(3-15-6)10-5(12)7(18)4(1-17)19-10/h2-5,7,10,17-18H,1H2/t4-,5-,7-,10-/m1/s1
InChIKey
HLXISARTQIJHHE-QYYRPYCUSA-N
Compound name
(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.04254 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04982 158.9
[M+Na]+ 311.03176 171.4
[M-H]- 287.03526 159.5
[M+NH4]+ 306.07636 172.5
[M+K]+ 327.00570 166.8
[M+H-H2O]+ 271.03980 150.5
[M+HCOO]- 333.04074 169.9
[M+CH3COO]- 347.05639 170.2
[M+Na-2H]- 309.01721 159.9
[M]+ 288.04199 161.6
[M]- 288.04309 161.6
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.