CID 121118

1470-37-7

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]+ 300.98586 160.7
[M+Na]+ 322.96780 174.0
[M-H]- 298.97130 171.6
[M+NH4]+ 318.01240 182.7
[M+K]+ 338.94174 161.9
[M+H-H2O]+ 282.97584 161.0
[M+HCOO]- 344.97678 182.2
[M+CH3COO]- 358.99243 176.1
[M+Na-2H]- 320.95325 165.5
[M]+ 299.97803 179.8
[M]- 299.97913 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.