CID 3082449

36724-68-2

Structural Information

Molecular Formula

C₇H₇ClF₃NO₂

SMILES

C1C[C@H](N(C1)C(=O)C(F)(F)F)C(=O)Cl

InChI

InChI=1S/C7H7ClF3NO2/c8-5(13)4-2-1-3-12(4)6(14)7(9,10)11/h4H,1-3H2/t4-/m0/s1

InChIKey

NUOYJPPISCCYDH-BYPYZUCNSA-N

Compound name

(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 873
Patents: 229.01173 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]+	230.01901	141.2
[M+Na]+	252.00095	149.6
[M-H]-	228.00445	139.5
[M+NH4]+	247.04555	160.4
[M+K]+	267.97489	146.7
[M+H-H2O]+	212.00899	134.0
[M+HCOO]-	274.00993	152.5
[M+CH3COO]-	288.02558	184.9
[M+Na-2H]-	249.98640	141.9
[M]+	229.01118	137.0
[M]-	229.01228	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe