CID 128853

Delphinidin

Structural Information

Molecular Formula
C15H11O7
SMILES
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)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/h1-5H,(H5-,16,17,18,19,20,21)/p+1
InChIKey
JKHRCGUTYDNCLE-UHFFFAOYSA-O
Compound name
2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

566
References

12905
Patents

303.05048 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05776 166.5
[M+Na]+ 326.03970 176.3
[M-H]- 302.04320 169.3
[M+NH4]+ 321.08430 177.4
[M+K]+ 342.01364 167.2
[M+H-H2O]+ 286.04774 162.5
[M+HCOO]- 348.04868 180.9
[M+CH3COO]- 362.06433 186.5
[M+Na-2H]- 324.02515 173.0
[M]+ 303.04993 166.4
[M]- 303.05103 166.4
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