CID 42673

58237-19-7

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

COCCN(C1=CC=CC=C1)C(=O)CCl

InChI

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

InChIKey

XXHDEGBANPQHAA-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-methoxyethyl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 1.8
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	149.1
[M+Na]+	250.06052	155.8
[M-H]-	226.06402	153.7
[M+NH4]+	245.10512	168.3
[M+K]+	266.03446	153.6
[M+H-H2O]+	210.06856	143.2
[M+HCOO]-	272.06950	169.7
[M+CH3COO]-	286.08515	192.8
[M+Na-2H]-	248.04597	154.1
[M]+	227.07075	153.8
[M]-	227.07185	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe