CID 14589

Dibenzosuberone

Structural Information

Molecular Formula
C15H12O
SMILES
C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI
InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKey
BMVWCPGVLSILMU-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

8708
Patents

208.08882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.096096 141.6
[M+Na]+ 231.078038 149.3
[M-H]- 207.081544 148.4
[M+NH4]+ 226.122643 161.7
[M+K]+ 247.051978 148.6
[M+H-H2O]+ 191.086080 137.7
[M+HCOO]- 253.087021 162.5
[M+CH3COO]- 267.102671 154.7
[M+Na-2H]- 229.063486 150.2
[M]+ 208.08827142 138.4
[M]- 208.08936858 138.4
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