CID 15731660

1-chloro-2-[(trifluoromethyl)sulfanyl]benzene

Structural Information

Molecular Formula

C₇H₄ClF₃S

SMILES

C1=CC=C(C(=C1)SC(F)(F)F)Cl

InChI

InChI=1S/C7H4ClF3S/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

InChIKey

XDQCDVMXZCAMJN-UHFFFAOYSA-N

Compound name

1-chloro-2-(trifluoromethylsulfanyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 211.96744 Da
Monoisotopic Mass: 4.3
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]+	212.97472	140.7
[M+Na]+	234.95666	151.3
[M+NH4]+	230.00126	148.3
[M+K]+	250.93060	143.2
[M-H]-	210.96016	138.9
[M+Na-2H]-	232.94211	145.8
[M]+	211.96689	142.3
[M]-	211.96799	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe