CID 14376433

3,5,6,7,2',3',4'-heptahydroxyflavone

Structural Information

Molecular Formula
C15H10O9
SMILES
C1=CC(=C(C(=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O)O
InChI
InChI=1S/C15H10O9/c16-5-2-1-4(9(18)10(5)19)15-14(23)13(22)8-7(24-15)3-6(17)11(20)12(8)21/h1-3,16-21,23H
InChIKey
FEUQGYRGRIAWGR-UHFFFAOYSA-N
Compound name
3,5,6,7-tetrahydroxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.03247 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03975 170.1
[M+Na]+ 357.02169 180.9
[M-H]- 333.02519 171.9
[M+NH4]+ 352.06629 179.4
[M+K]+ 372.99563 178.4
[M+H-H2O]+ 317.02973 163.2
[M+HCOO]- 379.03067 183.5
[M+CH3COO]- 393.04632 200.3
[M+Na-2H]- 355.00714 172.4
[M]+ 334.03192 172.5
[M]- 334.03302 172.5
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