CID 209112

2-bromo-2-((p-bromophenyl)phenylacetyl)-1,3-indandione

Structural Information

Molecular Formula
C23H14Br2O3
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)C(=O)C3(C(=O)C4=CC=CC=C4C3=O)Br
InChI
InChI=1S/C23H14Br2O3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)22(28)23(25)20(26)17-8-4-5-9-18(17)21(23)27/h1-13,19H
InChIKey
OBJIHYSWWHSWDL-UHFFFAOYSA-N
Compound name
2-bromo-2-[2-(4-bromophenyl)-2-phenylacetyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.93097 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.93825 188.9
[M+Na]+ 518.92019 184.6
[M+NH4]+ 513.96479 191.1
[M+K]+ 534.89413 189.4
[M-H]- 494.92369 191.5
[M+Na-2H]- 516.90564 191.1
[M]+ 495.93042 188.1
[M]- 495.93152 188.1
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.