CID 5270554

6-carboxy-4'-methoxyflavanone

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C17H14O5/c1-21-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17(19)20)4-7-15(13)22-16/h2-8,16H,9H2,1H3,(H,19,20)
InChIKey
RAFJECZAXMYIFZ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 164.6
[M+Na]+ 321.07336 172.3
[M-H]- 297.07686 171.8
[M+NH4]+ 316.11796 178.6
[M+K]+ 337.04730 170.3
[M+H-H2O]+ 281.08140 156.8
[M+HCOO]- 343.08234 182.7
[M+CH3COO]- 357.09799 201.8
[M+Na-2H]- 319.05881 168.8
[M]+ 298.08359 166.1
[M]- 298.08469 166.1
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

No patent data available for this compound.