CID 214755

34162-12-4

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

COC1=CC=CC(=C1)CCNC(=O)CCl

InChI

InChI=1S/C11H14ClNO2/c1-15-10-4-2-3-9(7-10)5-6-13-11(14)8-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)

InChIKey

HPHJTWKPQRPOLN-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(3-methoxyphenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 227.0713 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]+	228.07858	148.4
[M+Na]+	250.06052	160.7
[M+NH4]+	245.10512	156.6
[M+K]+	266.03446	153.6
[M-H]-	226.06402	150.6
[M+Na-2H]-	248.04597	154.9
[M]+	227.07075	151.0
[M]-	227.07185	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe