CID 3011678

2-[(6-chloro-2-fluoro-purin-9-yl)methoxy]ethanol

Structural Information

Molecular Formula
C8H8ClFN4O2
SMILES
C1=NC2=C(N1COCCO)N=C(N=C2Cl)F
InChI
InChI=1S/C8H8ClFN4O2/c9-6-5-7(13-8(10)12-6)14(3-11-5)4-16-2-1-15/h3,15H,1-2,4H2
InChIKey
QPYFPEOXPVLILU-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-fluoropurin-9-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.03198 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03926 146.3
[M+Na]+ 269.02120 159.3
[M-H]- 245.02470 143.7
[M+NH4]+ 264.06580 161.8
[M+K]+ 284.99514 154.3
[M+H-H2O]+ 229.02924 137.5
[M+HCOO]- 291.03018 161.0
[M+CH3COO]- 305.04583 188.0
[M+Na-2H]- 267.00665 152.6
[M]+ 246.03143 151.6
[M]- 246.03253 151.6
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

No patent data available for this compound.