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 147.9
[M-H]- 207.08154 148.4
[M+NH4]+ 226.12264 154.2
[M+K]+ 247.05198 147.2
[M+H-H2O]+ 191.08608 129.1
[M+HCOO]- 253.08702 162.6
[M+CH3COO]- 267.10267 191.1
[M+Na-2H]- 229.06349 148.1
[M]+ 208.08827 149.4
[M]- 208.08937 149.4
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.