CID 13771618

2-fluorodeschloroketamine

Structural Information

Molecular Formula

C₁₃H₁₆FNO

SMILES

CNC1(CCCCC1=O)C2=CC=CC=C2F

InChI

InChI=1S/C13H16FNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3

InChIKey

PHFAGYYTDLITTB-UHFFFAOYSA-N

Compound name

2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 52
Patents: 221.1216 Da
Monoisotopic Mass: 1.7
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]+	222.128876	148.1
[M+Na]+	244.110818	154.5
[M-H]-	220.114324	153.2
[M+NH4]+	239.155423	168.0
[M+K]+	260.084758	151.1
[M+H-H2O]+	204.118860	140.7
[M+HCOO]-	266.119801	169.0
[M+CH3COO]-	280.135451	190.5
[M+Na-2H]-	242.096266	153.2
[M]+	221.12105142	142.6
[M]-	221.12214858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe