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

3
Annotation Hits: 19
References: 155
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]+	182.097566	137.6
[M+Na]+	204.079508	144.4
[M-H]-	180.083014	140.0
[M+NH4]+	199.124113	157.3
[M+K]+	220.053448	142.7
[M+H-H2O]+	164.087550	130.8
[M+HCOO]-	226.088491	160.2
[M+CH3COO]-	240.104141	185.8
[M+Na-2H]-	202.064956	141.8
[M]+	181.08974142	135.8
[M]-	181.09083858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe