CID 28606469

1-difluoromethanesulfonylpiperazinehydrochloride

Structural Information

Molecular Formula

C₅H₁₀F₂N₂O₂S

SMILES

C1CN(CCN1)S(=O)(=O)C(F)F

InChI

InChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-3-1-8-2-4-9/h5,8H,1-4H2

InChIKey

ZHWKFHYSNUEPAC-UHFFFAOYSA-N

Compound name

1-(difluoromethylsulfonyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 200.0431 Da
Monoisotopic Mass: -0.2
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]+	201.05038	140.6
[M+Na]+	223.03232	147.1
[M+NH4]+	218.07692	145.5
[M+K]+	239.00626	142.4
[M-H]-	199.03582	136.0
[M+Na-2H]-	221.01777	141.9
[M]+	200.04255	140.0
[M]-	200.04365	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe