CID 85979126

(2s,3r,4r)-3,4,4'-trihydroxyflavan

Structural Information

Molecular Formula
C15H14O4
SMILES
C1=CC=C2C(=C1)C(C(C(O2)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C15H14O4/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,13-18H
InChIKey
HGNZPAIPVKRUKE-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.096476 155.6
[M+Na]+ 281.078418 163.4
[M-H]- 257.081924 160.3
[M+NH4]+ 276.123023 170.3
[M+K]+ 297.052358 159.9
[M+H-H2O]+ 241.086460 148.8
[M+HCOO]- 303.087401 171.9
[M+CH3COO]- 317.103051 167.0
[M+Na-2H]- 279.063866 161.0
[M]+ 258.08865142 153.5
[M]- 258.08974858 153.5
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.