CID 43603512

1190044-25-7

Structural Information

Molecular Formula

C₃H₇F₃N₂O₂S

SMILES

C(CNS(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C3H7F3N2O2S/c4-3(5,6)11(9,10)8-2-1-7/h8H,1-2,7H2

InChIKey

LQSTWVDFDGVQPE-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 192.01804 Da
Monoisotopic Mass: -0.4
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]+	193.02532	131.1
[M+Na]+	215.00726	138.8
[M-H]-	191.01076	127.1
[M+NH4]+	210.05186	149.8
[M+K]+	230.98120	136.6
[M+H-H2O]+	175.01530	123.5
[M+HCOO]-	237.01624	146.1
[M+CH3COO]-	251.03189	181.6
[M+Na-2H]-	212.99271	135.5
[M]+	192.01749	127.0
[M]-	192.01859	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe