CID 23248

Brn 2454368

Structural Information

Molecular Formula
C16H14O
SMILES
C1C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H14O/c17-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2
InChIKey
MWRCQJJQFQLAJJ-UHFFFAOYSA-N
Compound name
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 145.8
[M+Na]+ 245.093678 152.3
[M-H]- 221.097184 153.0
[M+NH4]+ 240.138283 158.5
[M+K]+ 261.067618 151.3
[M+H-H2O]+ 205.101720 133.7
[M+HCOO]- 267.102661 167.1
[M+CH3COO]- 281.118311 194.0
[M+Na-2H]- 243.079126 152.3
[M]+ 222.10391142 154.5
[M]- 222.10500858 154.5
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.