CID 53403454

2-(2,3-difluorophenyl)pyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

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

InChI

InChI=1S/C10H11F2N/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2

InChIKey

CROKRZDCSQGVQW-UHFFFAOYSA-N

Compound name

2-(2,3-difluorophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 183.08595 Da
Monoisotopic Mass: 2.0
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]+	184.09323	141.6
[M+Na]+	206.07517	152.2
[M+NH4]+	201.11977	149.3
[M+K]+	222.04911	147.0
[M-H]-	182.07867	141.9
[M+Na-2H]-	204.06062	147.1
[M]+	183.08540	142.9
[M]-	183.08650	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe