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 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

No literature data available for this compound.

Patent stripe

patents stripe