CID 84648246

3-(2,2-difluoroethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

C1CNCC1CC(F)F

InChI

InChI=1S/C6H11F2N/c7-6(8)3-5-1-2-9-4-5/h5-6,9H,1-4H2

InChIKey

FEKPQSLPXNUZCV-UHFFFAOYSA-N

Compound name

3-(2,2-difluoroethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 135.08595 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]+	136.09323	130.8
[M+Na]+	158.07517	138.3
[M+NH4]+	153.11977	137.8
[M+K]+	174.04911	134.8
[M-H]-	134.07867	128.2
[M+Na-2H]-	156.06062	133.3
[M]+	135.08540	130.6
[M]-	135.08650	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.