CID 162933

3,9-dihydroxypterocarpan

Structural Information

Molecular Formula
C15H12O4
SMILES
C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
InChI
InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
InChIKey
ODMIEGVTNZNSLD-WFASDCNBSA-N
Compound name
(6aR,11aR)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

21
Patents

256.07355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 153.2
[M+Na]+ 279.06277 167.4
[M+NH4]+ 274.10737 162.9
[M+K]+ 295.03671 163.1
[M-H]- 255.06627 158.7
[M+Na-2H]- 277.04822 156.2
[M]+ 256.07300 156.9
[M]- 256.07410 156.9
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