CID 58685127

2-(2-aminoethanesulfonyl)-1,1,1-trifluoroethane hydrochloride

Structural Information

Molecular Formula

C₄H₈F₃NO₂S

SMILES

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

InChI

InChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2

InChIKey

LCAFKXUREMWCMM-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethylsulfonyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 191.02278 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]+	192.03006	132.3
[M+Na]+	214.01200	140.6
[M-H]-	190.01550	128.5
[M+NH4]+	209.05660	151.7
[M+K]+	229.98594	138.4
[M+H-H2O]+	174.02004	125.3
[M+HCOO]-	236.02098	146.2
[M+CH3COO]-	250.03663	179.6
[M+Na-2H]-	211.99745	135.9
[M]+	191.02223	129.6
[M]-	191.02333	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe