CID 2782806

870841-98-8

Structural Information

Molecular Formula

C₁₁H₁₄F₂N₂

SMILES

C1CN(CCN1)CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C11H14F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2

InChIKey

GGARUFCQRZCXHK-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 212.1125 Da
Monoisotopic Mass: 1.3
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]+	213.11978	146.5
[M+Na]+	235.10172	152.9
[M-H]-	211.10522	145.7
[M+NH4]+	230.14632	161.5
[M+K]+	251.07566	148.1
[M+H-H2O]+	195.10976	136.3
[M+HCOO]-	257.11070	161.2
[M+CH3COO]-	271.12635	184.4
[M+Na-2H]-	233.08717	149.9
[M]+	212.11195	137.9
[M]-	212.11305	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe