CID 93599

7h-benz(de)anthracen-7-one, 6,11-dichloro-

Structural Information

Molecular Formula
C17H8Cl2O
SMILES
C1=CC2=C3C(=C1)C4=C(C=CC=C4Cl)C(=O)C3=C(C=C2)Cl
InChI
InChI=1S/C17H8Cl2O/c18-12-6-2-5-11-15(12)10-4-1-3-9-7-8-13(19)16(14(9)10)17(11)20/h1-8H
InChIKey
HLURXBJWOYRABC-UHFFFAOYSA-N
Compound name
6,11-dichlorobenzo[a]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

297.9952 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00248 162.0
[M+Na]+ 320.98442 174.9
[M-H]- 296.98792 167.4
[M+NH4]+ 316.02902 182.4
[M+K]+ 336.95836 166.8
[M+H-H2O]+ 280.99246 156.3
[M+HCOO]- 342.99340 172.5
[M+CH3COO]- 357.00905 174.6
[M+Na-2H]- 318.96987 169.5
[M]+ 297.99465 167.5
[M]- 297.99575 167.5
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

patents stripe