CID 17039587

93600-20-5

Structural Information

Molecular Formula

C₁₀H₄Cl₅N

SMILES

C1=CC2=C(C=C1Cl)C(=CC(=N2)C(Cl)(Cl)Cl)Cl

InChI

InChI=1S/C10H4Cl5N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H

InChIKey

FHXKVGZILZNOCZ-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-(trichloromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 312.87863 Da
Monoisotopic Mass: 5.1
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]+	313.88591	161.9
[M+Na]+	335.86785	172.2
[M-H]-	311.87135	159.8
[M+NH4]+	330.91245	176.5
[M+K]+	351.84179	166.4
[M+H-H2O]+	295.87589	157.6
[M+HCOO]-	357.87683	156.3
[M+CH3COO]-	371.89248	170.5
[M+Na-2H]-	333.85330	164.7
[M]+	312.87808	162.0
[M]-	312.87918	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe