CID 688041

7-(trifluoromethyl)quinoline-4-thiol

Structural Information

Molecular Formula

C₁₀H₆F₃NS

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC=CC2=S

InChI

InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)

InChIKey

DBWDEWRMEKXOFI-UHFFFAOYSA-N

Compound name

7-(trifluoromethyl)-1H-quinoline-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 495
Patents: 229.0173 Da
Monoisotopic Mass: 3.0
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]+	230.02458	146.6
[M+Na]+	252.00652	157.4
[M+NH4]+	247.05112	153.4
[M+K]+	267.98046	149.4
[M-H]-	228.01002	144.3
[M+Na-2H]-	249.99197	151.2
[M]+	229.01675	147.8
[M]-	229.01785	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe