CID 442398

Fisetinidol-4beta-ol

Structural Information

Molecular Formula
C15H14O6
SMILES
C1=CC(=C(C=C1[C@@H]2[C@H]([C@H](C3=C(O2)C=C(C=C3)O)O)O)O)O
InChI
InChI=1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14-,15+/m0/s1
InChIKey
OFZBQQUVMQGHDJ-SOUVJXGZSA-N
Compound name
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

290.07904 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.086316 162.6
[M+Na]+ 313.068258 170.8
[M-H]- 289.071764 165.4
[M+NH4]+ 308.112863 174.9
[M+K]+ 329.042198 167.5
[M+H-H2O]+ 273.076300 156.2
[M+HCOO]- 335.077241 176.0
[M+CH3COO]- 349.092891 192.8
[M+Na-2H]- 311.053706 166.0
[M]+ 290.07849142 160.9
[M]- 290.07958858 160.9
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