CID 370223

Nsc642967

Structural Information

Molecular Formula
C17H8ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C=CC(=CC4=C3)Cl
InChI
InChI=1S/C17H8ClNO2/c18-10-5-6-14-9(7-10)8-13-15(19-14)17(21)12-4-2-1-3-11(12)16(13)20/h1-8H
InChIKey
ORUMBAHZOHDEJN-UHFFFAOYSA-N
Compound name
2-chlorobenzo[b]acridine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.02435 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03163 161.9
[M+Na]+ 316.01357 174.5
[M-H]- 292.01707 167.3
[M+NH4]+ 311.05817 180.2
[M+K]+ 331.98751 167.2
[M+H-H2O]+ 276.02161 154.1
[M+HCOO]- 338.02255 176.3
[M+CH3COO]- 352.03820 174.4
[M+Na-2H]- 313.99902 169.9
[M]+ 293.02380 165.3
[M]- 293.02490 165.3
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

No patent data available for this compound.