CID 5276832

5-chloro-1,3-dihydroacridone

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
C1=CC2C(C(=C1)Cl)NC3=C(C2=O)C(=CC(=C3)O)O
InChI
InChI=1S/C13H10ClNO3/c14-8-3-1-2-7-12(8)15-9-4-6(16)5-10(17)11(9)13(7)18/h1-5,7,12,15-17H
InChIKey
UUOCTDBRXGBFDW-UHFFFAOYSA-N
Compound name
4-chloro-6,8-dihydroxy-9a,10-dihydro-4aH-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0349 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04218 153.4
[M+Na]+ 286.02412 164.0
[M-H]- 262.02762 154.0
[M+NH4]+ 281.06872 170.3
[M+K]+ 301.99806 157.1
[M+H-H2O]+ 246.03216 148.2
[M+HCOO]- 308.03310 163.7
[M+CH3COO]- 322.04875 164.6
[M+Na-2H]- 284.00957 158.7
[M]+ 263.03435 152.3
[M]- 263.03545 152.3
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.