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]+ 264.042176 153.4
[M+Na]+ 286.024118 164.0
[M-H]- 262.027624 154.0
[M+NH4]+ 281.068723 170.3
[M+K]+ 301.998058 157.1
[M+H-H2O]+ 246.032160 148.2
[M+HCOO]- 308.033101 163.7
[M+CH3COO]- 322.048751 164.6
[M+Na-2H]- 284.009566 158.7
[M]+ 263.03435142 152.3
[M]- 263.03544858 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.