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: 19
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	133.4
[M+Na]+	203.99534	141.1
[M-H]-	179.99884	134.4
[M+NH4]+	199.03994	153.2
[M+K]+	219.96928	137.5
[M+H-H2O]+	164.00338	129.0
[M+HCOO]-	226.00432	143.1
[M+CH3COO]-	240.01997	177.2
[M+Na-2H]-	201.98079	137.1
[M]+	181.00557	131.6
[M]-	181.00667	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe