CID 18690833

215453-48-8

Structural Information

Molecular Formula

C₅H₉F₃N₂O₂S

SMILES

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

InChI

InChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-3-1-9-2-4-10/h9H,1-4H2

InChIKey

IBYRUEFAAFGNSD-UHFFFAOYSA-N

Compound name

1-(trifluoromethylsulfonyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 218.03368 Da
Monoisotopic Mass: 0.1
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]+	219.04096	140.9
[M+Na]+	241.02290	147.9
[M-H]-	217.02640	135.9
[M+NH4]+	236.06750	156.0
[M+K]+	256.99684	144.8
[M+H-H2O]+	201.03094	132.4
[M+HCOO]-	263.03188	147.6
[M+CH3COO]-	277.04753	177.7
[M+Na-2H]-	239.00835	144.1
[M]+	218.03313	133.2
[M]-	218.03423	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe