CID 23247

Brn 1957075

Structural Information

Molecular Formula
C15H12O
SMILES
C1C(C2=CC=CC=C21)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h1-9,14H,10H2
InChIKey
KDYKIKNETFYTQJ-UHFFFAOYSA-N
Compound name
7-bicyclo[4.2.0]octa-1,3,5-trienyl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 140.9
[M+Na]+ 231.07804 151.8
[M+NH4]+ 226.12264 147.2
[M+K]+ 247.05198 145.6
[M-H]- 207.08154 143.4
[M+Na-2H]- 229.06349 148.3
[M]+ 208.08827 142.2
[M]- 208.08937 142.2
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.