CID 16679

Dibenzosuberenone

Structural Information

Molecular Formula
C15H10O
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
InChIKey
SNVTZAIYUGUKNI-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

2314
Patents

206.07317 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.080446 140.4
[M+Na]+ 229.062388 150.1
[M-H]- 205.065894 148.0
[M+NH4]+ 224.106993 160.8
[M+K]+ 245.036328 149.3
[M+H-H2O]+ 189.070430 136.8
[M+HCOO]- 251.071371 164.0
[M+CH3COO]- 265.087021 154.6
[M+Na-2H]- 227.047836 150.9
[M]+ 206.07262142 139.9
[M]- 206.07371858 139.9
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