CID 601421

Trans-10,11-dibromodibenzosuberone

Structural Information

Molecular Formula
C15H10Br2O
SMILES
C1=CC=C2C(=C1)C(C(C3=CC=CC=C3C2=O)Br)Br
InChI
InChI=1S/C15H10Br2O/c16-13-9-5-1-3-7-11(9)15(18)12-8-4-2-6-10(12)14(13)17/h1-8,13-14H
InChIKey
UXTYUOCJQGRAIG-UHFFFAOYSA-N
Compound name
9,10-dibromotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

363.90985 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.91713 155.7
[M+Na]+ 386.89907 165.8
[M-H]- 362.90257 164.7
[M+NH4]+ 381.94367 173.7
[M+K]+ 402.87301 154.4
[M+H-H2O]+ 346.90711 165.2
[M+HCOO]- 408.90805 169.3
[M+CH3COO]- 422.92370 168.7
[M+Na-2H]- 384.88452 162.6
[M]+ 363.90930 185.6
[M]- 363.91040 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe