CID 55279793

2,2,2-trichloroethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₂H₂Cl₄O₂S

SMILES

C(C(Cl)(Cl)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C2H2Cl4O2S/c3-2(4,5)1-9(6,7)8/h1H2

InChIKey

CNWRAKGWZMUEAT-UHFFFAOYSA-N

Compound name

2,2,2-trichloroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3
Patents: 229.85297 Da
Monoisotopic Mass: 2.2
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]+	230.86025	138.4
[M+Na]+	252.84219	148.0
[M-H]-	228.84569	137.6
[M+NH4]+	247.88679	157.4
[M+K]+	268.81613	143.5
[M+H-H2O]+	212.85023	138.2
[M+HCOO]-	274.85117	135.6
[M+CH3COO]-	288.86682	182.7
[M+Na-2H]-	250.82764	141.5
[M]+	229.85242	140.9
[M]-	229.85352	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe