CID 2761176

212190-25-5

Structural Information

Molecular Formula

C₄H₆ClF₃O₂S

SMILES

C(CC(F)(F)F)CS(=O)(=O)Cl

InChI

InChI=1S/C4H6ClF3O2S/c5-11(9,10)3-1-2-4(6,7)8/h1-3H2

InChIKey

FCBIRUMSQYSMOL-UHFFFAOYSA-N

Compound name

4,4,4-trifluorobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 209.97292 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]+	210.98020	132.0
[M+Na]+	232.96214	141.9
[M-H]-	208.96564	129.2
[M+NH4]+	228.00674	152.2
[M+K]+	248.93608	138.4
[M+H-H2O]+	192.97018	126.6
[M+HCOO]-	254.97112	141.3
[M+CH3COO]-	268.98677	179.5
[M+Na-2H]-	230.94759	136.1
[M]+	209.97237	133.0
[M]-	209.97347	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe