CID 43494

7h-dibenz(de,h)anthracen-7-one

Structural Information

Molecular Formula
C21H12O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C(=CC=C5)C3=O
InChI
InChI=1S/C21H12O/c22-21-17-10-4-7-14-6-3-9-16(19(14)17)20-15-8-2-1-5-13(15)11-12-18(20)21/h1-12H
InChIKey
DGQYORXOISCXDO-UHFFFAOYSA-N
Compound name
pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.0888 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09608 162.2
[M+Na]+ 303.07802 182.7
[M+NH4]+ 298.12262 174.8
[M+K]+ 319.05196 170.6
[M-H]- 279.08152 169.2
[M+Na-2H]- 301.06347 171.6
[M]+ 280.08825 167.7
[M]- 280.08935 167.7
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

No patent data available for this compound.