CID 156743

Isoferreirin

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)O)O
InChI
InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3
InChIKey
VODZWHSRITUHNI-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.9
[M+Na]+ 325.06826 179.7
[M+NH4]+ 320.11286 172.5
[M+K]+ 341.04220 174.8
[M-H]- 301.07176 169.7
[M+Na-2H]- 323.05371 170.3
[M]+ 302.07849 168.9
[M]- 302.07959 168.9
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

No patent data available for this compound.