CID 135542159

2-f-ddi

Structural Information

Molecular Formula
C10H11FN4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(NC3=O)F
InChI
InChI=1S/C10H11FN4O3/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H,13,14,17)/t5-,6+/m0/s1
InChIKey
CIHKPMUKLDCYRV-NTSWFWBYSA-N
Compound name
2-fluoro-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

254.08151 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08879 151.9
[M+Na]+ 277.07073 163.3
[M-H]- 253.07423 152.5
[M+NH4]+ 272.11533 165.8
[M+K]+ 293.04467 159.5
[M+H-H2O]+ 237.07877 143.2
[M+HCOO]- 299.07971 168.0
[M+CH3COO]- 313.09536 163.5
[M+Na-2H]- 275.05618 154.1
[M]+ 254.08096 151.8
[M]- 254.08206 151.8
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