CID 16769721

1-(2-chloro-4-fluorobenzoyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₂ClFN₂O

SMILES

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

InChI

InChI=1S/C11H12ClFN2O/c12-10-7-8(13)1-2-9(10)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2

InChIKey

VWIIKYCGMFUEGT-UHFFFAOYSA-N

Compound name

(2-chloro-4-fluorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.06223 Da
Monoisotopic Mass: 1.5
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]+	243.069506	150.9
[M+Na]+	265.051448	158.0
[M-H]-	241.054954	151.4
[M+NH4]+	260.096053	165.5
[M+K]+	281.025388	152.4
[M+H-H2O]+	225.059490	142.3
[M+HCOO]-	287.060431	161.5
[M+CH3COO]-	301.076081	186.9
[M+Na-2H]-	263.036896	153.4
[M]+	242.06168142	145.5
[M]-	242.06277858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe