CID 9317159

2-chloro-n-ethyl-n-[(3-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula

C₁₁H₁₃ClFNO

SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CCl

InChI

InChI=1S/C11H13ClFNO/c1-2-14(11(15)7-12)8-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3

InChIKey

RWKMWGAZGHLOAP-UHFFFAOYSA-N

Compound name

2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.06697 Da
Monoisotopic Mass: 2.3
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]+	230.074246	148.0
[M+Na]+	252.056188	155.7
[M-H]-	228.059694	151.5
[M+NH4]+	247.100793	167.4
[M+K]+	268.030128	152.5
[M+H-H2O]+	212.064230	141.5
[M+HCOO]-	274.065171	167.3
[M+CH3COO]-	288.080821	194.6
[M+Na-2H]-	250.041636	151.6
[M]+	229.06642142	150.5
[M]-	229.06751858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.