CID 11368252

782495-18-5

Structural Information

Molecular Formula

C₆H₁₁F₃N₂O₂S

SMILES

C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2/t5-/m0/s1

InChIKey

RIWFUAUXWIEOTK-YFKPBYRVSA-N

Compound name

1,1,1-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 232.04933 Da
Monoisotopic Mass: 0.7
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]+	233.05661	150.2
[M+Na]+	255.03855	153.6
[M+NH4]+	250.08315	153.9
[M+K]+	271.01249	151.1
[M-H]-	231.04205	144.1
[M+Na-2H]-	253.02400	150.0
[M]+	232.04878	148.7
[M]-	232.04988	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe