CID 105277

3,9-dichloro-7h-benz(de)anthracen-7-one

Structural Information

Molecular Formula
C17H8Cl2O
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)Cl)Cl
InChI
InChI=1S/C17H8Cl2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H
InChIKey
CWOMZMMYXCMUCI-UHFFFAOYSA-N
Compound name
3,9-dichlorobenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 160.1
[M+Na]+ 320.98442 180.4
[M+NH4]+ 316.02902 172.4
[M+K]+ 336.95836 168.6
[M-H]- 296.98792 165.8
[M+Na-2H]- 318.96987 168.3
[M]+ 297.99465 165.8
[M]- 297.99575 165.8
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