CID 441648

Aurantinidin

Structural Information

Molecular Formula
C15H11O6
SMILES
C1=CC(=CC=C1C2=C(C=C3C(=[O+]2)C=C(C(=C3O)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19/h1-6H,(H4-,16,17,18,19,20)/p+1
InChIKey
VGONRPRFJVEJKB-UHFFFAOYSA-O
Compound name
2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

703
Patents

287.05557 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06285 163.1
[M+Na]+ 310.04479 172.8
[M-H]- 286.04829 167.0
[M+NH4]+ 305.08939 175.3
[M+K]+ 326.01873 163.6
[M+H-H2O]+ 270.05283 159.1
[M+HCOO]- 332.05377 179.0
[M+CH3COO]- 346.06942 184.7
[M+Na-2H]- 308.03024 170.6
[M]+ 287.05502 162.9
[M]- 287.05612 162.9
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