CID 442771

Ferreirin

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
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 165.0
[M+Na]+ 325.06826 174.0
[M-H]- 301.07176 170.4
[M+NH4]+ 320.11286 178.2
[M+K]+ 341.04220 171.5
[M+H-H2O]+ 285.07630 157.9
[M+HCOO]- 347.07724 181.4
[M+CH3COO]- 361.09289 199.2
[M+Na-2H]- 323.05371 168.8
[M]+ 302.07849 166.4
[M]- 302.07959 166.4
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