CID 75465121

3-fluoro-3-(2-fluorophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1CNCC1(C2=CC=CC=C2F)F

InChI

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

InChIKey

NWMVGZDBLMHTPU-UHFFFAOYSA-N

Compound name

3-fluoro-3-(2-fluorophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.08595 Da
Monoisotopic Mass: 1.7
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]+	184.09323	136.1
[M+Na]+	206.07517	144.0
[M-H]-	182.07867	137.5
[M+NH4]+	201.11977	157.5
[M+K]+	222.04911	140.0
[M+H-H2O]+	166.08321	128.1
[M+HCOO]-	228.08415	154.9
[M+CH3COO]-	242.09980	148.5
[M+Na-2H]-	204.06062	140.5
[M]+	183.08540	128.8
[M]-	183.08650	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe