CID 121600089

1592983-07-7

Structural Information

Molecular Formula

C₆H₁₀ClF₃N₂O₂S

SMILES

C1CN(CCN1CC(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C6H10ClF3N2O2S/c7-15(13,14)12-3-1-11(2-4-12)5-6(8,9)10/h1-5H2

InChIKey

ZQKFYGAAYBBNSU-UHFFFAOYSA-N

Compound name

4-(2,2,2-trifluoroethyl)piperazine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.01038 Da
Monoisotopic Mass: 1.2
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]+	267.017656	148.5
[M+Na]+	288.999598	156.8
[M-H]-	265.003104	145.3
[M+NH4]+	284.044203	163.6
[M+K]+	304.973538	152.9
[M+H-H2O]+	249.007640	140.5
[M+HCOO]-	311.008581	151.9
[M+CH3COO]-	325.024231	188.3
[M+Na-2H]-	286.985046	150.9
[M]+	266.00983142	145.2
[M]-	266.01092858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.