CID 6489230

1-(3,4-difluorobenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂F₂N₂O

SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C11H12F2N2O/c12-9-2-1-8(7-10(9)13)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2

InChIKey

ADUNZIXVJYFOSR-UHFFFAOYSA-N

Compound name

(3,4-difluorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 226.09177 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]+	227.099046	148.8
[M+Na]+	249.080988	155.2
[M-H]-	225.084494	148.2
[M+NH4]+	244.125593	163.1
[M+K]+	265.054928	150.9
[M+H-H2O]+	209.089030	138.7
[M+HCOO]-	271.089971	162.9
[M+CH3COO]-	285.105621	185.9
[M+Na-2H]-	247.066436	151.1
[M]+	226.09122142	140.2
[M]-	226.09231858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe