CID 46934023

1-chloro-2-trifluoromethanesulfinylethane

Structural Information

Molecular Formula

C₃H₄ClF₃OS

SMILES

C(CCl)S(=O)C(F)(F)F

InChI

InChI=1S/C3H4ClF3OS/c4-1-2-9(8)3(5,6)7/h1-2H2

InChIKey

FNNLOFOFBJZNCE-UHFFFAOYSA-N

Compound name

1-chloro-2-(trifluoromethylsulfinyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.96234 Da
Monoisotopic Mass: 1.0
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]+	180.96962	123.8
[M+Na]+	202.95156	133.3
[M-H]-	178.95506	121.0
[M+NH4]+	197.99616	145.2
[M+K]+	218.92550	130.3
[M+H-H2O]+	162.95960	118.3
[M+HCOO]-	224.96054	133.4
[M+CH3COO]-	238.97619	175.9
[M+Na-2H]-	200.93701	126.4
[M]+	179.96179	123.7
[M]-	179.96289	123.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.