CID 58684100

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

Structural Information

Molecular Formula

C₄H₈F₃NOS

SMILES

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

InChI

InChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2

InChIKey

DTVVONWNPPOAMF-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethylsulfinyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.02786 Da
Monoisotopic Mass: -0.6
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]+	176.03514	129.4
[M+Na]+	198.01708	136.9
[M-H]-	174.02058	125.4
[M+NH4]+	193.06168	149.3
[M+K]+	213.99102	134.9
[M+H-H2O]+	158.02512	121.9
[M+HCOO]-	220.02606	143.2
[M+CH3COO]-	234.04171	178.9
[M+Na-2H]-	196.00253	130.9
[M]+	175.02731	125.9
[M]-	175.02841	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe