CID 12444919

Vogeletin

Structural Information

Molecular Formula
C16H12O7
SMILES
COC1=C(C(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-16-11-10(6-9(18)12(16)19)23-15(14(21)13(11)20)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3
InChIKey
RDGLQEGHDXGATK-UHFFFAOYSA-N
Compound name
3,6,7-trihydroxy-2-(4-hydroxyphenyl)-5-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 167.0
[M+Na]+ 339.04752 178.0
[M-H]- 315.05102 172.1
[M+NH4]+ 334.09212 179.1
[M+K]+ 355.02146 175.4
[M+H-H2O]+ 299.05556 159.7
[M+HCOO]- 361.05650 184.7
[M+CH3COO]- 375.07215 200.4
[M+Na-2H]- 337.03297 171.5
[M]+ 316.05775 171.2
[M]- 316.05885 171.2
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

No patent data available for this compound.