CID 5482932

5-chloro-1,3-dihydroxy-10h-acridin-9-one

Structural Information

Molecular Formula
C13H8ClNO3
SMILES
C1=CC2=C(C(=C1)Cl)NC3=C(C2=O)C(=CC(=C3)O)O
InChI
InChI=1S/C13H8ClNO3/c14-8-3-1-2-7-12(8)15-9-4-6(16)5-10(17)11(9)13(7)18/h1-5,16-17H,(H,15,18)
InChIKey
FNIGHIXUKIHUMN-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dihydroxy-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

261.01926 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02654 150.4
[M+Na]+ 284.00848 164.1
[M-H]- 260.01198 152.3
[M+NH4]+ 279.05308 167.8
[M+K]+ 299.98242 156.6
[M+H-H2O]+ 244.01652 145.2
[M+HCOO]- 306.01746 165.1
[M+CH3COO]- 320.03311 163.2
[M+Na-2H]- 281.99393 158.7
[M]+ 261.01871 153.7
[M]- 261.01981 153.7
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

patents stripe