CID 126739503

2704188-30-5

Structural Information

Molecular Formula

C₈H₁₄F₂N₂

SMILES

C1CN(CCN1)C2CC(C2)(F)F

InChI

InChI=1S/C8H14F2N2/c9-8(10)5-7(6-8)12-3-1-11-2-4-12/h7,11H,1-6H2

InChIKey

XSZMGPVGSMJLNN-UHFFFAOYSA-N

Compound name

1-(3,3-difluorocyclobutyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 176.1125 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]+	177.11978	137.8
[M+Na]+	199.10172	142.7
[M-H]-	175.10522	137.0
[M+NH4]+	194.14632	149.8
[M+K]+	215.07566	142.9
[M+H-H2O]+	159.10976	124.6
[M+HCOO]-	221.11070	150.6
[M+CH3COO]-	235.12635	180.0
[M+Na-2H]-	197.08717	141.6
[M]+	176.11195	136.6
[M]-	176.11305	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe