CID 615312

69220-40-2

Structural Information

Molecular Formula
C13H8ClNO
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)Cl
InChI
InChI=1S/C13H8ClNO/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13(9)16/h1-7H,(H,15,16)
InChIKey
UNFRCVRJLUPLIP-UHFFFAOYSA-N
Compound name
4-chloro-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.02943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.036706 143.6
[M+Na]+ 252.018648 156.7
[M-H]- 228.022154 147.3
[M+NH4]+ 247.063253 163.2
[M+K]+ 267.992588 149.3
[M+H-H2O]+ 212.026690 137.5
[M+HCOO]- 274.027631 160.9
[M+CH3COO]- 288.043281 157.4
[M+Na-2H]- 250.004096 154.1
[M]+ 229.02888142 146.7
[M]- 229.02997858 146.7
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