CID 3081493

2-fluoro-2-deoxyglucose 6-phosphate

Structural Information

Molecular Formula
C6H12FO8P
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)F)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H12FO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey
CMLYNMGULQGGIA-SLPGGIOYSA-N
Compound name
[(2R,3R,4S,5R)-5-fluoro-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

120
References

48
Patents

262.0254 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03268 153.1
[M+Na]+ 285.01462 156.9
[M-H]- 261.01812 143.8
[M+NH4]+ 280.05922 165.9
[M+K]+ 300.98856 157.4
[M+H-H2O]+ 245.02266 145.6
[M+HCOO]- 307.02360 170.0
[M+CH3COO]- 321.03925 183.6
[M+Na-2H]- 283.00007 150.3
[M]+ 262.02485 152.1
[M]- 262.02595 152.1
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