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]+ 259.09648 155.6
[M+Na]+ 281.07842 163.4
[M-H]- 257.08192 160.3
[M+NH4]+ 276.12302 170.3
[M+K]+ 297.05236 159.9
[M+H-H2O]+ 241.08646 148.8
[M+HCOO]- 303.08740 171.9
[M+CH3COO]- 317.10305 167.0
[M+Na-2H]- 279.06387 161.0
[M]+ 258.08865 153.5
[M]- 258.08975 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.