CID 53415330

3-fluoromethcathinone

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

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

InChI

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

InChIKey

PQIBROLLUQSNQI-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)-2-(methylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 78
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	137.6
[M+Na]+	204.07951	144.4
[M-H]-	180.08301	140.0
[M+NH4]+	199.12411	157.3
[M+K]+	220.05345	142.7
[M+H-H2O]+	164.08755	130.8
[M+HCOO]-	226.08849	160.2
[M+CH3COO]-	240.10414	185.8
[M+Na-2H]-	202.06496	141.8
[M]+	181.08974	135.8
[M]-	181.09084	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe