CID 68353997

1294000-89-7

Structural Information

Molecular Formula

C₆H₈ClF₂NO

SMILES

C1[C@@H](CNC1=O)CC(F)(F)Cl

InChI

InChI=1S/C6H8ClF2NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4H,1-3H2,(H,10,11)/t4-/m1/s1

InChIKey

NTHWPONGAAWUAJ-SCSAIBSYSA-N

Compound name

(4R)-4-(2-chloro-2,2-difluoroethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 183.02625 Da
Monoisotopic Mass: 1.2
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]+	184.03353	134.2
[M+Na]+	206.01547	142.6
[M-H]-	182.01897	132.1
[M+NH4]+	201.06007	154.6
[M+K]+	221.98941	138.6
[M+H-H2O]+	166.02351	128.0
[M+HCOO]-	228.02445	146.7
[M+CH3COO]-	242.04010	175.0
[M+Na-2H]-	204.00092	137.5
[M]+	183.02570	129.4
[M]-	183.02680	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe