CID 49776864

5-carboxymethyl-4',7-dihydroxyflavone

Structural Information

Molecular Formula
C17H12O6
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)CC(=O)O)O
InChI
InChI=1S/C17H12O6/c18-11-3-1-9(2-4-11)14-8-13(20)17-10(6-16(21)22)5-12(19)7-15(17)23-14/h1-5,7-8,18-19H,6H2,(H,21,22)
InChIKey
HJARIJMNOKTLGY-UHFFFAOYSA-N
Compound name
2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

312.0634 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 166.8
[M+Na]+ 335.05262 176.3
[M-H]- 311.05612 172.4
[M+NH4]+ 330.09722 179.2
[M+K]+ 351.02656 173.2
[M+H-H2O]+ 295.06066 159.3
[M+HCOO]- 357.06160 184.8
[M+CH3COO]- 371.07725 200.5
[M+Na-2H]- 333.03807 171.3
[M]+ 312.06285 169.5
[M]- 312.06395 169.5
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.