CID 466285

Iodoflavone

Structural Information

Molecular Formula
C15H9IO2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)I
InChI
InChI=1S/C15H9IO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKey
JHYPGUFREBHZIV-UHFFFAOYSA-N
Compound name
3-iodo-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

347.96472 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97200 157.1
[M+Na]+ 370.95394 160.2
[M-H]- 346.95744 158.3
[M+NH4]+ 365.99854 169.5
[M+K]+ 386.92788 162.7
[M+H-H2O]+ 330.96198 145.8
[M+HCOO]- 392.96292 175.1
[M+CH3COO]- 406.97857 166.5
[M+Na-2H]- 368.93939 154.0
[M]+ 347.96417 156.2
[M]- 347.96527 156.2
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