CID 12547034

1-phenyl-7h-benz(de)anthracen-7-one

Structural Information

Molecular Formula
C23H14O
SMILES
C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C(=O)C5=CC=CC(=C53)C=C2
InChI
InChI=1S/C23H14O/c24-23-19-11-5-4-10-18(19)22-17(15-7-2-1-3-8-15)14-13-16-9-6-12-20(23)21(16)22/h1-14H
InChIKey
LXKMGEHDGRTGNG-UHFFFAOYSA-N
Compound name
1-phenylbenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

306.10446 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.111736 171.1
[M+Na]+ 329.093678 180.2
[M-H]- 305.097184 179.6
[M+NH4]+ 324.138283 188.6
[M+K]+ 345.067618 172.6
[M+H-H2O]+ 289.101720 161.1
[M+HCOO]- 351.102661 190.0
[M+CH3COO]- 365.118311 182.5
[M+Na-2H]- 327.079126 179.3
[M]+ 306.10391142 171.3
[M]- 306.10500858 171.3
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