CID 5315397

Yinyanghuo e

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C(O1)C(=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-9,21-22,24H,1-2H3
InChIKey
FIKLOAGOJKGOFT-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

352.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 180.8
[M+Na]+ 375.08392 192.4
[M-H]- 351.08742 188.5
[M+NH4]+ 370.12852 193.7
[M+K]+ 391.05786 190.1
[M+H-H2O]+ 335.09196 172.7
[M+HCOO]- 397.09290 195.6
[M+CH3COO]- 411.10855 192.2
[M+Na-2H]- 373.06937 187.2
[M]+ 352.09415 185.1
[M]- 352.09525 185.1
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