CID 154577300

2298762-84-0

Structural Information

Molecular Formula

C₇H₁₁ClFNO

SMILES

CC1(CCN(CC1)C(=O)Cl)F

InChI

InChI=1S/C7H11ClFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3

InChIKey

JQDWAYJIBOCRMW-UHFFFAOYSA-N

Compound name

4-fluoro-4-methylpiperidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.05132 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]+	180.05860	133.2
[M+Na]+	202.04054	141.1
[M-H]-	178.04404	133.8
[M+NH4]+	197.08514	154.8
[M+K]+	218.01448	138.6
[M+H-H2O]+	162.04858	128.0
[M+HCOO]-	224.04952	146.7
[M+CH3COO]-	238.06517	177.6
[M+Na-2H]-	200.02599	137.8
[M]+	179.05077	130.0
[M]-	179.05187	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.