CID 154147707

4-chloropiperidine-1-carbonyl chloride

Structural Information

Molecular Formula

C₆H₉Cl₂NO

SMILES

C1CN(CCC1Cl)C(=O)Cl

InChI

InChI=1S/C6H9Cl2NO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2

InChIKey

FCIQNYDYSMNJRL-UHFFFAOYSA-N

Compound name

4-chloropiperidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 181.00612 Da
Monoisotopic Mass: 1.9
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]+	182.01340	132.5
[M+Na]+	203.99534	145.0
[M+NH4]+	199.03994	141.5
[M+K]+	219.96928	138.4
[M-H]-	179.99884	133.6
[M+Na-2H]-	201.98079	137.9
[M]+	181.00557	135.0
[M]-	181.00667	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe