CID 361800

4b-bromo-4b,5,9b,10-tetrahydroindeno(2,1-a)indene-5,10-dione

Structural Information

Molecular Formula
C16H9BrO2
SMILES
C1=CC=C2C(=C1)C3C(=O)C4=CC=CC=C4C3(C2=O)Br
InChI
InChI=1S/C16H9BrO2/c17-16-12-8-4-3-7-11(12)14(18)13(16)9-5-1-2-6-10(9)15(16)19/h1-8,13H
InChIKey
ZUDDQEGWGGRBFB-UHFFFAOYSA-N
Compound name
4b-bromo-9bH-indeno[2,3-a]indene-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.97858 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98586 167.9
[M+Na]+ 334.96780 182.9
[M-H]- 310.97130 178.0
[M+NH4]+ 330.01240 194.9
[M+K]+ 350.94174 170.4
[M+H-H2O]+ 294.97584 169.6
[M+HCOO]- 356.97678 188.0
[M+CH3COO]- 370.99243 183.4
[M+Na-2H]- 332.95325 173.3
[M]+ 311.97803 188.3
[M]- 311.97913 188.3
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.