CID 44257373

2',4',5,7,8-pentahydroxyisoflavone

Structural Information

Molecular Formula
C15H10O7
SMILES
C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C(=CC(=C3O)O)O
InChI
InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H
InChIKey
LOLNVJIGYUJCIY-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

302.04266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04994 163.0
[M+Na]+ 325.03188 174.0
[M-H]- 301.03538 166.9
[M+NH4]+ 320.07648 175.0
[M+K]+ 341.00582 170.8
[M+H-H2O]+ 285.03992 156.2
[M+HCOO]- 347.04086 179.5
[M+CH3COO]- 361.05651 195.5
[M+Na-2H]- 323.01733 167.5
[M]+ 302.04211 165.2
[M]- 302.04321 165.2
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