CID 460463

Nsc655256

Structural Information

Molecular Formula

C₁₀H₁₀BrFN₄O₂

SMILES

C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN=C3Br)CO

InChI

InChI=1S/C10H10BrFN4O2/c11-8-7-9(14-3-13-8)16(4-15-7)10-6(12)1-5(2-17)18-10/h3-6,10,17H,1-2H2/t5-,6-,10+/m0/s1

InChIKey

MHMLXMMURQWKKT-JFWOZONXSA-N

Compound name

[(2S,4S,5R)-5-(6-bromopurin-9-yl)-4-fluorooxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 315.99713 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.00441	160.1
[M+Na]+	338.98635	174.5
[M-H]-	314.98985	164.7
[M+NH4]+	334.03095	176.4
[M+K]+	354.96029	164.1
[M+H-H2O]+	298.99439	158.2
[M+HCOO]-	360.99533	175.6
[M+CH3COO]-	375.01098	173.7
[M+Na-2H]-	336.97180	163.8
[M]+	315.99658	179.6
[M]-	315.99768	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe