CID 82281904

4f-buphedrone

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

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

InChI

InChI=1S/C11H14FNO/c1-3-10(13-2)11(14)8-4-6-9(12)7-5-8/h4-7,10,13H,3H2,1-2H3

InChIKey

NEZHKHMZNSFKGS-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-(methylamino)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10594 Da
Monoisotopic Mass: 2.2
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]+	196.113216	142.3
[M+Na]+	218.095158	148.7
[M-H]-	194.098664	144.6
[M+NH4]+	213.139763	161.4
[M+K]+	234.069098	146.7
[M+H-H2O]+	178.103200	135.3
[M+HCOO]-	240.104141	164.6
[M+CH3COO]-	254.119791	188.9
[M+Na-2H]-	216.080606	145.9
[M]+	195.10539142	140.9
[M]-	195.10648858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe