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]+ 378.896376 162.3
[M+Na]+ 400.878318 174.7
[M-H]- 376.881824 172.9
[M+NH4]+ 395.922923 182.9
[M+K]+ 416.852258 159.6
[M+H-H2O]+ 360.886360 171.4
[M+HCOO]- 422.887301 178.5
[M+CH3COO]- 436.902951 176.6
[M+Na-2H]- 398.863766 167.9
[M]+ 377.88855142 197.3
[M]- 377.88964858 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.