CID 162345088

Ns00133093

Structural Information

Molecular Formula

C₁₄H₁₀ClNO₂

SMILES

C1=CC=C2C(=C1)C(C3=C(N2)C=CC(=C3O)Cl)C=O

InChI

InChI=1S/C14H10ClNO2/c15-10-5-6-12-13(14(10)18)9(7-17)8-3-1-2-4-11(8)16-12/h1-7,9,16,18H

InChIKey

DDMSIJLUMVTILE-UHFFFAOYSA-N

Compound name

2-chloro-1-hydroxy-9,10-dihydroacridine-9-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.04 Da
Monoisotopic Mass: 2.9
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]+	260.047276	153.4
[M+Na]+	282.029218	164.3
[M-H]-	258.032724	155.2
[M+NH4]+	277.073823	171.1
[M+K]+	298.003158	157.0
[M+H-H2O]+	242.037260	147.6
[M+HCOO]-	304.038201	166.2
[M+CH3COO]-	318.053851	165.2
[M+Na-2H]-	280.014666	160.3
[M]+	259.03945142	154.0
[M]-	259.04054858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.