CID 300737

6-phenylbenzanthrone

Structural Information

Molecular Formula
C23H14O
SMILES
C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C5=CC=CC=C5C3=O)C=C2
InChI
InChI=1S/C23H14O/c24-23-20-11-5-4-10-18(20)19-12-6-9-16-13-14-17(22(23)21(16)19)15-7-2-1-3-8-15/h1-14H
InChIKey
CCAKERBFWMKWSE-UHFFFAOYSA-N
Compound name
6-phenylbenzo[a]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

306.10446 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11174 171.1
[M+Na]+ 329.09368 180.2
[M-H]- 305.09718 179.6
[M+NH4]+ 324.13828 188.6
[M+K]+ 345.06762 172.6
[M+H-H2O]+ 289.10172 161.1
[M+HCOO]- 351.10266 190.0
[M+CH3COO]- 365.11831 182.5
[M+Na-2H]- 327.07913 179.3
[M]+ 306.10391 171.3
[M]- 306.10501 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

No literature data available for this compound.

Patent stripe

patents stripe