CID 64566209

1284248-11-8

Structural Information

Molecular Formula

C₁₀H₁₀F₂N₂O

SMILES

C1CN(C(=O)CN1)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C10H10F2N2O/c11-7-1-2-9(8(12)5-7)14-4-3-13-6-10(14)15/h1-2,5,13H,3-4,6H2

InChIKey

ASNDDIMHUDPOHX-UHFFFAOYSA-N

Compound name

1-(2,4-difluorophenyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 212.07613 Da
Monoisotopic Mass: 0.9
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]+	213.083406	144.2
[M+Na]+	235.065348	152.2
[M-H]-	211.068854	144.0
[M+NH4]+	230.109953	159.4
[M+K]+	251.039288	147.6
[M+H-H2O]+	195.073390	134.4
[M+HCOO]-	257.074331	159.6
[M+CH3COO]-	271.089981	183.8
[M+Na-2H]-	233.050796	147.4
[M]+	212.07558142	136.4
[M]-	212.07667858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe