CID 1810267

36293-01-3

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

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

InChI

InChI=1S/C10H12ClNO/c1-8(12-10(13)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m0/s1

InChIKey

NCGMICUPYDDHPQ-QMMMGPOBSA-N

Compound name

2-chloro-N-[(1S)-1-phenylethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 197.06075 Da
Monoisotopic Mass: 2.1
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]+	198.06803	141.9
[M+Na]+	220.04997	148.7
[M-H]-	196.05347	145.2
[M+NH4]+	215.09457	161.7
[M+K]+	236.02391	145.2
[M+H-H2O]+	180.05801	136.7
[M+HCOO]-	242.05895	161.1
[M+CH3COO]-	256.07460	185.1
[M+Na-2H]-	218.03542	146.9
[M]+	197.06020	142.9
[M]-	197.06130	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe