CID 81173635

2-trifluoromethanesulfonylethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₃H₆F₃NO₂S

SMILES

C(CS(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C3H6F3NO2S/c4-3(5,6)10(8,9)2-1-7/h1-2,7H2

InChIKey

XYIDKPDHFJQNOA-UHFFFAOYSA-N

Compound name

2-(trifluoromethylsulfonyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 177.00714 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]+	178.01442	127.8
[M+Na]+	199.99636	136.5
[M-H]-	175.99986	124.2
[M+NH4]+	195.04096	147.7
[M+K]+	215.97030	134.5
[M+H-H2O]+	160.00440	120.9
[M+HCOO]-	222.00534	142.0
[M+CH3COO]-	236.02099	176.6
[M+Na-2H]-	197.98181	131.9
[M]+	177.00659	124.7
[M]-	177.00769	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe