CID 49853406

Flephedrone

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

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

InChI

InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3

InChIKey

MWKQPIROPJSFRI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 128
Patents: 181.09029 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]+	182.09757	139.2
[M+Na]+	204.07951	149.9
[M+NH4]+	199.12411	146.8
[M+K]+	220.05345	144.3
[M-H]-	180.08301	140.1
[M+Na-2H]-	202.06496	145.0
[M]+	181.08974	140.7
[M]-	181.09084	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe