CID 440047

2'-hydroxydihydrodaidzein

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2
InChIKey
WBOWBLGZAXVREM-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5
Patents

272.06848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 157.5
[M+Na]+ 295.057698 166.3
[M-H]- 271.061204 162.7
[M+NH4]+ 290.102303 171.7
[M+K]+ 311.031638 163.1
[M+H-H2O]+ 255.065740 150.7
[M+HCOO]- 317.066681 174.1
[M+CH3COO]- 331.082331 192.4
[M+Na-2H]- 293.043146 162.4
[M]+ 272.06793142 156.7
[M]- 272.06902858 156.7
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