CID 53403587

2751614-86-3

Structural Information

Molecular Formula

C₁₀H₁₁ClFN

SMILES

C1CC(NC1)C2=CC(=CC(=C2)Cl)F

InChI

InChI=1S/C10H11ClFN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2

InChIKey

LFYUKIRTOWJMTO-UHFFFAOYSA-N

Compound name

2-(3-chloro-5-fluorophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 199.05641 Da
Monoisotopic Mass: 2.5
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]+	200.06369	140.6
[M+Na]+	222.04563	149.1
[M-H]-	198.04913	143.0
[M+NH4]+	217.09023	160.5
[M+K]+	238.01957	143.4
[M+H-H2O]+	182.05367	133.6
[M+HCOO]-	244.05461	155.7
[M+CH3COO]-	258.07026	152.9
[M+Na-2H]-	220.03108	143.2
[M]+	199.05586	136.4
[M]-	199.05696	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe