CID 453190

F-me-ph-pyran

Structural Information

Molecular Formula
C13H17FO6
SMILES
C1=CC=C(C(=C1)CF)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H17FO6/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-13,15-18H,5-6H2/t9-,10-,11+,12-,13+/m1/s1
InChIKey
PCRNFPRVCMOCFC-LBELIVKGSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[2-(fluoromethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.10092 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10820 162.3
[M+Na]+ 311.09014 168.7
[M-H]- 287.09364 163.2
[M+NH4]+ 306.13474 174.1
[M+K]+ 327.06408 166.4
[M+H-H2O]+ 271.09818 154.9
[M+HCOO]- 333.09912 175.8
[M+CH3COO]- 347.11477 192.3
[M+Na-2H]- 309.07559 163.1
[M]+ 288.10037 159.7
[M]- 288.10147 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.