CID 822961

76475-75-7

Structural Information

Molecular Formula

C₁₃H₁₈FNO

SMILES

CCN(CC)CCC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C13H18FNO/c1-3-15(4-2)10-9-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3

InChIKey

UDMQAYDYSACXAS-UHFFFAOYSA-N

Compound name

3-(diethylamino)-1-(4-fluorophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 7
Patents: 223.13724 Da
Monoisotopic Mass: 2.4
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]+	224.144516	151.3
[M+Na]+	246.126458	157.3
[M-H]-	222.129964	154.6
[M+NH4]+	241.171063	170.0
[M+K]+	262.100398	155.7
[M+H-H2O]+	206.134500	143.6
[M+HCOO]-	268.135441	174.4
[M+CH3COO]-	282.151091	197.6
[M+Na-2H]-	244.111906	154.3
[M]+	223.13669142	152.5
[M]-	223.13778858	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe