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]+ 223.11174 145.8
[M+Na]+ 245.09368 152.3
[M-H]- 221.09718 153.0
[M+NH4]+ 240.13828 158.5
[M+K]+ 261.06762 151.3
[M+H-H2O]+ 205.10172 133.7
[M+HCOO]- 267.10266 167.1
[M+CH3COO]- 281.11831 194.0
[M+Na-2H]- 243.07913 152.3
[M]+ 222.10391 154.5
[M]- 222.10501 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.