CID 66596456

1-(2,2-difluoropropyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄F₂N₂

SMILES

CC(CN1CCNCC1)(F)F

InChI

InChI=1S/C7H14F2N2/c1-7(8,9)6-11-4-2-10-3-5-11/h10H,2-6H2,1H3

InChIKey

KNXYFEARPACJJL-UHFFFAOYSA-N

Compound name

1-(2,2-difluoropropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 164.1125 Da
Monoisotopic Mass: 0.6
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]+	165.119776	136.3
[M+Na]+	187.101718	141.5
[M-H]-	163.105224	132.1
[M+NH4]+	182.146323	153.3
[M+K]+	203.075658	139.3
[M+H-H2O]+	147.109760	128.0
[M+HCOO]-	209.110701	149.3
[M+CH3COO]-	223.126351	174.9
[M+Na-2H]-	185.087166	141.4
[M]+	164.11195142	127.4
[M]-	164.11304858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe