CID 81287

6848-16-4

Structural Information

Molecular Formula

C₁₂H₁₄ClN

SMILES

CC1=CC(NC2=C1C=C(C=C2)Cl)(C)C

InChI

InChI=1S/C12H14ClN/c1-8-7-12(2,3)14-11-5-4-9(13)6-10(8)11/h4-7,14H,1-3H3

InChIKey

XQGISKQNLSPHNQ-UHFFFAOYSA-N

Compound name

6-chloro-2,2,4-trimethyl-1H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.08148 Da
Monoisotopic Mass: 3.4
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]+	208.08876	142.9
[M+Na]+	230.07070	153.7
[M-H]-	206.07420	145.2
[M+NH4]+	225.11530	164.6
[M+K]+	246.04464	147.9
[M+H-H2O]+	190.07874	138.0
[M+HCOO]-	252.07968	157.6
[M+CH3COO]-	266.09533	156.0
[M+Na-2H]-	228.05615	149.9
[M]+	207.08093	143.3
[M]-	207.08203	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe