CID 462691

8-flavone acetic acid

Structural Information

Molecular Formula
C17H14O4
SMILES
C1C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17/h1-8,15H,9-10H2,(H,19,20)
InChIKey
GWSLSAJCBDLLSP-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.8
[M+Na]+ 305.07842 168.9
[M-H]- 281.08192 168.6
[M+NH4]+ 300.12302 176.3
[M+K]+ 321.05236 166.0
[M+H-H2O]+ 265.08646 154.1
[M+HCOO]- 327.08740 179.8
[M+CH3COO]- 341.10305 198.2
[M+Na-2H]- 303.06387 166.6
[M]+ 282.08865 161.5
[M]- 282.08975 161.5
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.