CID 3000750

7-chloro-4-methylquinoline-2-thiol

Structural Information

Molecular Formula

C₁₀H₈ClNS

SMILES

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

InChI

InChI=1S/C10H8ClNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,1H3,(H,12,13)

InChIKey

LSEISBSNELHXAE-UHFFFAOYSA-N

Compound name

7-chloro-4-methyl-1H-quinoline-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.00659 Da
Monoisotopic Mass: 2.5
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]+	210.01387	137.4
[M+Na]+	231.99581	149.5
[M-H]-	207.99931	140.2
[M+NH4]+	227.04041	157.6
[M+K]+	247.96975	142.5
[M+H-H2O]+	192.00385	132.9
[M+HCOO]-	254.00479	149.2
[M+CH3COO]-	268.02044	150.9
[M+Na-2H]-	229.98126	142.3
[M]+	209.00604	139.8
[M]-	209.00714	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe