CID 466279

2-(2-iodophenyl)chromen-4-one

Structural Information

Molecular Formula
C15H9IO2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3I
InChI
InChI=1S/C15H9IO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9H
InChIKey
YDJSIXHQECZPHI-UHFFFAOYSA-N
Compound name
2-(2-iodophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.