CID 452595

6-fluoro-ddp

Structural Information

Molecular Formula
C10H11FN4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3F
InChI
InChI=1S/C10H11FN4O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2/t6-,7+/m0/s1
InChIKey
SZWXQUMUPFALSF-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

238.08661 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09389 148.3
[M+Na]+ 261.07583 159.2
[M-H]- 237.07933 149.8
[M+NH4]+ 256.12043 163.4
[M+K]+ 277.04977 156.4
[M+H-H2O]+ 221.08387 139.1
[M+HCOO]- 283.08481 165.6
[M+CH3COO]- 297.10046 160.4
[M+Na-2H]- 259.06128 151.7
[M]+ 238.08606 148.9
[M]- 238.08716 148.9
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