CID 18740970

2839138-88-2

Structural Information

Molecular Formula

C₇H₁₄F₂N₂

SMILES

C1CN(CCN1)CCC(F)F

InChI

InChI=1S/C7H14F2N2/c8-7(9)1-4-11-5-2-10-3-6-11/h7,10H,1-6H2

InChIKey

OHILUYPDRQZMSV-UHFFFAOYSA-N

Compound name

1-(3,3-difluoropropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.1125 Da
Monoisotopic Mass: 0.8
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	136.0
[M+Na]+	187.101718	140.5
[M-H]-	163.105224	131.5
[M+NH4]+	182.146323	152.7
[M+K]+	203.075658	138.3
[M+H-H2O]+	147.109760	127.0
[M+HCOO]-	209.110701	149.5
[M+CH3COO]-	223.126351	175.5
[M+Na-2H]-	185.087166	139.2
[M]+	164.11195142	127.0
[M]-	164.11304858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe