CID 458173

5-chlorobenzo[a]anthracene-7,12-dione

Structural Information

Molecular Formula
C18H9ClO2
SMILES
C1=CC=C2C(=C1)C(=CC3=C2C(=O)C4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C18H9ClO2/c19-15-9-14-16(11-6-2-1-5-10(11)15)18(21)13-8-4-3-7-12(13)17(14)20/h1-9H
InChIKey
PZXLSMWBDMWIJO-UHFFFAOYSA-N
Compound name
5-chlorobenzo[a]anthracene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.0291 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03638 161.3
[M+Na]+ 315.01832 173.6
[M-H]- 291.02182 168.1
[M+NH4]+ 310.06292 181.1
[M+K]+ 330.99226 166.2
[M+H-H2O]+ 275.02636 154.5
[M+HCOO]- 337.02730 176.8
[M+CH3COO]- 351.04295 174.2
[M+Na-2H]- 313.00377 168.8
[M]+ 292.02855 164.6
[M]- 292.02965 164.6
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