CID 618540

35871-17-1

Structural Information

Molecular Formula

C₁₀H₅Cl₄N

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(Cl)(Cl)Cl)Cl

InChI

InChI=1S/C10H5Cl4N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H

InChIKey

AAAIMZMBCBBTQL-UHFFFAOYSA-N

Compound name

4-chloro-2-(trichloromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 278.9176 Da
Monoisotopic Mass: 4.7
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]+	279.92488	153.8
[M+Na]+	301.90682	164.6
[M-H]-	277.91032	153.6
[M+NH4]+	296.95142	170.5
[M+K]+	317.88076	158.1
[M+H-H2O]+	261.91486	149.3
[M+HCOO]-	323.91580	153.9
[M+CH3COO]-	337.93145	164.2
[M+Na-2H]-	299.89227	159.4
[M]+	278.91705	155.6
[M]-	278.91815	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe