CID 84648245

2-(2,2-difluoroethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

C1CC(NC1)CC(F)F

InChI

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

InChIKey

BPVJGFMHELBILO-UHFFFAOYSA-N

Compound name

2-(2,2-difluoroethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.08595 Da
Monoisotopic Mass: 1.6
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	127.0
[M+Na]+	158.07517	132.8
[M-H]-	134.07867	124.5
[M+NH4]+	153.11977	148.1
[M+K]+	174.04911	131.1
[M+H-H2O]+	118.08321	119.4
[M+HCOO]-	180.08415	144.3
[M+CH3COO]-	194.09980	169.5
[M+Na-2H]-	156.06062	129.4
[M]+	135.08540	119.2
[M]-	135.08650	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.