CID 466303

6-iodoflavonol

Structural Information

Molecular Formula
C15H9IO3
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)I)O
InChI
InChI=1S/C15H9IO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,18H
InChIKey
TZKBZRSSMGARTJ-UHFFFAOYSA-N
Compound name
3-hydroxy-6-iodo-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

363.95963 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.96691 162.5
[M+Na]+ 386.94885 165.9
[M-H]- 362.95235 162.9
[M+NH4]+ 381.99345 173.8
[M+K]+ 402.92279 168.2
[M+H-H2O]+ 346.95689 151.4
[M+HCOO]- 408.95783 179.1
[M+CH3COO]- 422.97348 171.3
[M+Na-2H]- 384.93430 158.2
[M]+ 363.95908 161.7
[M]- 363.96018 161.7
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.