CID 5496204

5,7-dichloro-1,3-dihydroxy-10h-acridin-9-one

Structural Information

Molecular Formula
C13H7Cl2NO3
SMILES
C1=C(C=C(C2=C1NC3=C(C2=O)C=C(C=C3Cl)Cl)O)O
InChI
InChI=1S/C13H7Cl2NO3/c14-5-1-7-12(8(15)2-5)16-9-3-6(17)4-10(18)11(9)13(7)19/h1-4,17-18H,(H,16,19)
InChIKey
UUZPECDZRGUHLS-UHFFFAOYSA-N
Compound name
5,7-dichloro-1,3-dihydroxy-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.9803 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98758 155.0
[M+Na]+ 317.96952 169.8
[M-H]- 293.97302 156.5
[M+NH4]+ 313.01412 171.7
[M+K]+ 333.94346 161.7
[M+H-H2O]+ 277.97756 150.8
[M+HCOO]- 339.97850 164.7
[M+CH3COO]- 353.99415 167.5
[M+Na-2H]- 315.95497 161.9
[M]+ 294.97975 160.0
[M]- 294.98085 160.0
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.