CID 58684527

1343672-04-7

Structural Information

Molecular Formula

C₅H₁₀F₃NS

SMILES

C(CSCCN)C(F)(F)F

InChI

InChI=1S/C5H10F3NS/c6-5(7,8)1-3-10-4-2-9/h1-4,9H2

InChIKey

BXARFLMCNMCPMP-UHFFFAOYSA-N

Compound name

2-(3,3,3-trifluoropropylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.0486 Da
Monoisotopic Mass: 1.4
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]+	174.055876	130.8
[M+Na]+	196.037818	138.0
[M-H]-	172.041324	126.7
[M+NH4]+	191.082423	151.1
[M+K]+	212.011758	135.6
[M+H-H2O]+	156.045860	123.3
[M+HCOO]-	218.046801	145.0
[M+CH3COO]-	232.062451	180.1
[M+Na-2H]-	194.023266	132.9
[M]+	173.04805142	127.6
[M]-	173.04914858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe