CID 55279317

18328-81-9

Structural Information

Molecular Formula

C₄H₅ClF₂O₄S

SMILES

CCOC(=O)C(F)(F)S(=O)(=O)Cl

InChI

InChI=1S/C4H5ClF2O4S/c1-2-11-3(8)4(6,7)12(5,9)10/h2H2,1H3

InChIKey

HXKDZCUAUWQNLE-UHFFFAOYSA-N

Compound name

ethyl 2-chlorosulfonyl-2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.95651 Da
Monoisotopic Mass: 1.4
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]+	222.96379	134.0
[M+Na]+	244.94573	143.6
[M-H]-	220.94923	132.7
[M+NH4]+	239.99033	153.6
[M+K]+	260.91967	141.3
[M+H-H2O]+	204.95377	129.5
[M+HCOO]-	266.95471	144.0
[M+CH3COO]-	280.97036	180.5
[M+Na-2H]-	242.93118	138.1
[M]+	221.95596	137.9
[M]-	221.95706	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.