CID 58111722

2567504-64-5

Structural Information

Molecular Formula

C₄H₈F₃NO₂S

SMILES

C(CN)CS(=O)(=O)C(F)(F)F

InChI

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

InChIKey

NORBCUTVRJLLHG-UHFFFAOYSA-N

Compound name

3-(trifluoromethylsulfonyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	192.030056	132.3
[M+Na]+	214.011998	140.6
[M-H]-	190.015504	128.5
[M+NH4]+	209.056603	151.7
[M+K]+	229.985938	138.4
[M+H-H2O]+	174.020040	125.3
[M+HCOO]-	236.020981	146.2
[M+CH3COO]-	250.036631	179.6
[M+Na-2H]-	211.997446	135.9
[M]+	191.02223142	129.6
[M]-	191.02332858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe