CID 44257457

3,4,9-trihydroxypterocarpan

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C2C(C3=C(O1)C(=C(C=C3)O)O)OC4=C2C=CC(=C4)O
InChI
InChI=1S/C15H12O5/c16-7-1-2-8-10-6-19-15-9(3-4-11(17)13(15)18)14(10)20-12(8)5-7/h1-5,10,14,16-18H,6H2
InChIKey
CLHTZHIBHTWFEM-UHFFFAOYSA-N
Compound name
6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4,9-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 154.7
[M+Na]+ 295.05770 164.6
[M-H]- 271.06120 159.5
[M+NH4]+ 290.10230 171.8
[M+K]+ 311.03164 162.2
[M+H-H2O]+ 255.06574 149.9
[M+HCOO]- 317.06668 169.0
[M+CH3COO]- 331.08233 167.0
[M+Na-2H]- 293.04315 161.3
[M]+ 272.06793 156.3
[M]- 272.06903 156.3
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

No patent data available for this compound.