CID 46937086

1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate

Structural Information

Molecular Formula
C12H15F2O6P
SMILES
CC1=CC(=C(C=C1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
InChI
InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1
InChIKey
NMMWBGNJJMNAIJ-QJPTWQEYSA-N
Compound name
[(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.05743 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06471 168.5
[M+Na]+ 347.04665 176.2
[M-H]- 323.05015 168.8
[M+NH4]+ 342.09125 181.9
[M+K]+ 363.02059 174.5
[M+H-H2O]+ 307.05469 159.4
[M+HCOO]- 369.05563 188.5
[M+CH3COO]- 383.07128 200.3
[M+Na-2H]- 345.03210 166.4
[M]+ 324.05688 168.0
[M]- 324.05798 168.0
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.