CID 10728024

94193-78-9

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

C1=CC=C(C=C1)C[C@@H](CO)NC(=O)CCl

InChI

InChI=1S/C11H14ClNO2/c12-7-11(15)13-10(8-14)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)/t10-/m0/s1

InChIKey

RAOHWQJCNBTFLA-JTQLQIEISA-N

Compound name

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 227.0713 Da
Monoisotopic Mass: 1.5
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]+	228.07858	149.7
[M+Na]+	250.06052	155.5
[M-H]-	226.06402	151.4
[M+NH4]+	245.10512	167.4
[M+K]+	266.03446	151.4
[M+H-H2O]+	210.06856	144.3
[M+HCOO]-	272.06950	167.3
[M+CH3COO]-	286.08515	187.6
[M+Na-2H]-	248.04597	153.6
[M]+	227.07075	150.6
[M]-	227.07185	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe