CID 71944

Flavodic acid

Structural Information

Molecular Formula
C19H14O8
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OCC(=O)O)OCC(=O)O
InChI
InChI=1S/C19H14O8/c20-13-8-14(11-4-2-1-3-5-11)27-16-7-12(25-9-17(21)22)6-15(19(13)16)26-10-18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
InChIKey
IGCSSLDDCHLXGL-UHFFFAOYSA-N
Compound name
2-[5-(carboxymethoxy)-4-oxo-2-phenylchromen-7-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

152
Patents

370.06888 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.076156 179.1
[M+Na]+ 393.058098 186.5
[M-H]- 369.061604 185.2
[M+NH4]+ 388.102703 188.9
[M+K]+ 409.032038 185.4
[M+H-H2O]+ 353.066140 170.3
[M+HCOO]- 415.067081 197.4
[M+CH3COO]- 429.082731 212.2
[M+Na-2H]- 391.043546 182.9
[M]+ 370.06833142 185.2
[M]- 370.06942858 185.2
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

patents stripe