CID 101148888

Schembl31598458

Structural Information

Molecular Formula

C₁₃H₈ClNO

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2Cl

InChI

InChI=1S/C13H8ClNO/c14-15-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H

InChIKey

YUKMQYFJGZFOJP-UHFFFAOYSA-N

Compound name

10-chloroacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.02943 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.036706	143.5
[M+Na]+	252.018648	157.0
[M-H]-	228.022154	148.6
[M+NH4]+	247.063253	163.8
[M+K]+	267.992588	150.5
[M+H-H2O]+	212.026690	137.0
[M+HCOO]-	274.027631	162.3
[M+CH3COO]-	288.043281	157.9
[M+Na-2H]-	250.004096	154.3
[M]+	229.02888142	148.3
[M]-	229.02997858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe