CID 455312

3'4'5'6,7-8-hepoh-flavone

Structural Information

Molecular Formula
C15H10O9
SMILES
C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O
InChI
InChI=1S/C15H10O9/c16-5-3-8(4-1-6(17)10(19)7(18)2-4)24-15-9(5)11(20)12(21)13(22)14(15)23/h1-3,17-23H
InChIKey
NOPTZLVPHKMBDV-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.03247 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.