CID 209111

1,3-indandione, 2-bromo-2-(diphenylacetyl)-

Structural Information

Molecular Formula
C23H15BrO3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3(C(=O)C4=CC=CC=C4C3=O)Br
InChI
InChI=1S/C23H15BrO3/c24-23(20(25)17-13-7-8-14-18(17)21(23)26)22(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKey
MWWFBPISUDUPSP-UHFFFAOYSA-N
Compound name
2-bromo-2-(2,2-diphenylacetyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.02045 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.02773 195.0
[M+Na]+ 441.00967 205.1
[M-H]- 417.01317 207.8
[M+NH4]+ 436.05427 212.8
[M+K]+ 456.98361 193.0
[M+H-H2O]+ 401.01771 193.7
[M+HCOO]- 463.01865 213.3
[M+CH3COO]- 477.03430 207.2
[M+Na-2H]- 438.99512 196.8
[M]+ 418.01990 213.5
[M]- 418.02100 213.5
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.