CID 121364

1,3-indandione, 2-(p-iodophenyl)-

Structural Information

Molecular Formula
C15H9IO2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C15H9IO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKey
UTLQYSLZKWYNOX-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

347.96472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97200 154.8
[M+Na]+ 370.95394 158.0
[M-H]- 346.95744 155.7
[M+NH4]+ 365.99854 170.5
[M+K]+ 386.92788 159.1
[M+H-H2O]+ 330.96198 145.0
[M+HCOO]- 392.96292 173.4
[M+CH3COO]- 406.97857 164.5
[M+Na-2H]- 368.93939 147.3
[M]+ 347.96417 152.8
[M]- 347.96527 152.8
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

No patent data available for this compound.