CID 121118

1,3-indandione, 4-bromo-2-phenyl-

Structural Information

Molecular Formula
C15H9BrO2
SMILES
C1=CC=C(C=C1)C2C(=O)C3=C(C2=O)C(=CC=C3)Br
InChI
InChI=1S/C15H9BrO2/c16-11-8-4-7-10-13(11)15(18)12(14(10)17)9-5-2-1-3-6-9/h1-8,12H
InChIKey
XBAPWQXUHHXVQL-UHFFFAOYSA-N
Compound name
4-bromo-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.97858 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.985856 160.7
[M+Na]+ 322.967798 174.0
[M-H]- 298.971304 171.6
[M+NH4]+ 318.012403 182.7
[M+K]+ 338.941738 161.9
[M+H-H2O]+ 282.975840 161.0
[M+HCOO]- 344.976781 182.2
[M+CH3COO]- 358.992431 176.1
[M+Na-2H]- 320.953246 165.5
[M]+ 299.97803142 179.8
[M]- 299.97912858 179.8
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.