CID 68246

Delfinidin

Structural Information

Molecular Formula
C15H10O7
SMILES
C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=O)C=C3O2)O)O
InChI
InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,17-21H
InChIKey
GXJDGHPXUVXIBO-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9697
Patents

302.04266 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe