CID 44257054

(2r-cis)-2-(2,5-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

Structural Information

Molecular Formula
C15H14O6
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=C(C=CC(=C3)O)O)O
InChI
InChI=1S/C15H14O6/c16-7-1-2-11(18)10(3-7)15-13(20)6-9-12(19)4-8(17)5-14(9)21-15/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChIKey
INFSVMACOKVKOV-UKRRQHHQSA-N
Compound name
(2R,3R)-2-(2,5-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07904 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 162.6
[M+Na]+ 313.06826 170.8
[M-H]- 289.07176 165.4
[M+NH4]+ 308.11286 174.9
[M+K]+ 329.04220 167.5
[M+H-H2O]+ 273.07630 156.2
[M+HCOO]- 335.07724 176.0
[M+CH3COO]- 349.09289 192.8
[M+Na-2H]- 311.05371 166.0
[M]+ 290.07849 160.9
[M]- 290.07959 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.