CID 1848511

1073059-28-5

Structural Information

Molecular Formula

C₁₂H₁₄ClFN₂O

SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCl

InChI

InChI=1S/C12H14ClFN2O/c13-9-12(17)16-7-5-15(6-8-16)11-3-1-10(14)2-4-11/h1-4H,5-9H2

InChIKey

KOSFWARHNRKNOW-UHFFFAOYSA-N

Compound name

2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 256.07788 Da
Monoisotopic Mass: 2.0
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]+	257.08516	155.0
[M+Na]+	279.06710	162.1
[M-H]-	255.07060	156.7
[M+NH4]+	274.11170	169.8
[M+K]+	295.04104	157.2
[M+H-H2O]+	239.07514	145.9
[M+HCOO]-	301.07608	166.8
[M+CH3COO]-	315.09173	192.4
[M+Na-2H]-	277.05255	157.5
[M]+	256.07733	151.8
[M]-	256.07843	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe