CID 3043664

2,5-dibromo-2-phenyl-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C15H8Br2O2
SMILES
C1=CC=C(C=C1)C2(C(=O)C3=C(C2=O)C=C(C=C3)Br)Br
InChI
InChI=1S/C15H8Br2O2/c16-10-6-7-11-12(8-10)14(19)15(17,13(11)18)9-4-2-1-3-5-9/h1-8H
InChIKey
AUNDFWBOQYUPRJ-UHFFFAOYSA-N
Compound name
2,5-dibromo-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.8891 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.89638 162.3
[M+Na]+ 400.87832 174.7
[M-H]- 376.88182 172.9
[M+NH4]+ 395.92292 182.9
[M+K]+ 416.85226 159.6
[M+H-H2O]+ 360.88636 171.4
[M+HCOO]- 422.88730 178.5
[M+CH3COO]- 436.90295 176.6
[M+Na-2H]- 398.86377 167.9
[M]+ 377.88855 197.3
[M]- 377.88965 197.3
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.