CID 5280544

Herbacetin

Structural Information

Molecular Formula
C15H10O7
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O
InChI
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
InChIKey
ZDOTZEDNGNPOEW-UHFFFAOYSA-N
Compound name
3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

298
Patents

302.04266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04994 164.4
[M+Na]+ 325.03188 179.0
[M+NH4]+ 320.07648 170.0
[M+K]+ 341.00582 175.2
[M-H]- 301.03538 167.3
[M+Na-2H]- 323.01733 168.8
[M]+ 302.04211 167.2
[M]- 302.04321 167.2
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