CID 17039580

93600-19-2

Structural Information

Molecular Formula

C₁₁H₇Cl₄N

SMILES

CC1=CC2=C(C=C1)N=C(C=C2Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C11H7Cl4N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3

InChIKey

GERDLAGWORVXDD-UHFFFAOYSA-N

Compound name

4-chloro-6-methyl-2-(trichloromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 292.93326 Da
Monoisotopic Mass: 4.8
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]+	293.94054	158.1
[M+Na]+	315.92248	169.4
[M-H]-	291.92598	158.1
[M+NH4]+	310.96708	174.6
[M+K]+	331.89642	162.8
[M+H-H2O]+	275.93052	153.8
[M+HCOO]-	337.93146	157.9
[M+CH3COO]-	351.94711	168.5
[M+Na-2H]-	313.90793	162.6
[M]+	292.93271	160.6
[M]-	292.93381	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe