CID 11736753

1,1,1-trichloro-2-chlorosulfonyloxyethane

Structural Information

Molecular Formula

C₂H₂Cl₄O₃S

SMILES

C(C(Cl)(Cl)Cl)OS(=O)(=O)Cl

InChI

InChI=1S/C2H2Cl4O3S/c3-2(4,5)1-9-10(6,7)8/h1H2

InChIKey

MFQWRQASGSRKAJ-UHFFFAOYSA-N

Compound name

1,1,1-trichloro-2-chlorosulfonyloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 29
Patents: 245.84787 Da
Monoisotopic Mass: 2.3
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]+	246.85515	140.3
[M+Na]+	268.83709	149.8
[M-H]-	244.84059	139.6
[M+NH4]+	263.88169	158.8
[M+K]+	284.81103	145.8
[M+H-H2O]+	228.84513	140.1
[M+HCOO]-	290.84607	137.9
[M+CH3COO]-	304.86172	184.5
[M+Na-2H]-	266.82254	143.8
[M]+	245.84732	144.3
[M]-	245.84842	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe