CID 10636929

Heliannone c

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H14O5/c1-20-16-12(18)7-6-11-13(19)8-14(21-15(11)16)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
InChIKey
BMGKZGNJRBKRFC-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 161.7
[M+Na]+ 309.07336 170.5
[M-H]- 285.07686 168.1
[M+NH4]+ 304.11796 176.0
[M+K]+ 325.04730 167.9
[M+H-H2O]+ 269.08140 154.4
[M+HCOO]- 331.08234 179.5
[M+CH3COO]- 345.09799 197.6
[M+Na-2H]- 307.05881 166.5
[M]+ 286.08359 162.9
[M]- 286.08469 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

No patent data available for this compound.