CID 339483

10,11-dibromo-5h-dibenzo(a,d)cyclohepten-5-one

Structural Information

Molecular Formula
C15H8Br2O
SMILES
C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3C2=O)Br)Br
InChI
InChI=1S/C15H8Br2O/c16-13-9-5-1-3-7-11(9)15(18)12-8-4-2-6-10(12)14(13)17/h1-8H
InChIKey
RALNTXVWKBRYDU-UHFFFAOYSA-N
Compound name
9,10-dibromotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.8942 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.90148 153.3
[M+Na]+ 384.88342 164.8
[M-H]- 360.88692 162.9
[M+NH4]+ 379.92802 171.5
[M+K]+ 400.85736 153.6
[M+H-H2O]+ 344.89146 163.0
[M+HCOO]- 406.89240 169.0
[M+CH3COO]- 420.90805 167.2
[M+Na-2H]- 382.86887 161.7
[M]+ 361.89365 185.3
[M]- 361.89475 185.3
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.