CID 10611056

223632-64-2

Structural Information

Molecular Formula

C₁₂H₁₁ClFNO₂

SMILES

C1CN(CCC1=O)C(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H11ClFNO2/c13-10-7-8(1-2-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2

InChIKey

FODGPXWJTNUVJU-UHFFFAOYSA-N

Compound name

1-(3-chloro-4-fluorobenzoyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 255.04623 Da
Monoisotopic Mass: 1.6
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]+	256.05351	152.0
[M+Na]+	278.03545	160.3
[M-H]-	254.03895	155.7
[M+NH4]+	273.08005	168.4
[M+K]+	294.00939	155.5
[M+H-H2O]+	238.04349	144.2
[M+HCOO]-	300.04443	165.6
[M+CH3COO]-	314.06008	192.1
[M+Na-2H]-	276.02090	153.8
[M]+	255.04568	149.6
[M]-	255.04678	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe