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

literature stripe

Patent stripe

patents stripe