CID 11790868

2-fluoro-n-((1s,2s)-2-hydroxy-1-methyl-2-phenylethyl)-n-methylacetamide

Structural Information

Molecular Formula

C₁₂H₁₆FNO₂

SMILES

C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CF

InChI

InChI=1S/C12H16FNO2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3/t9-,12+/m0/s1

InChIKey

KSTGIVVNSIGUMP-JOYOIKCWSA-N

Compound name

2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.1165 Da
Monoisotopic Mass: 1.4
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]+	226.123776	151.3
[M+Na]+	248.105718	155.8
[M-H]-	224.109224	153.2
[M+NH4]+	243.150323	168.7
[M+K]+	264.079658	155.1
[M+H-H2O]+	208.113760	143.8
[M+HCOO]-	270.114701	171.5
[M+CH3COO]-	284.130351	193.9
[M+Na-2H]-	246.091166	152.5
[M]+	225.11595142	149.9
[M]-	225.11704858	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.