CID 21275117

2-chloro-n-(2-ethylphenyl)propanamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CCC1=CC=CC=C1NC(=O)C(C)Cl

InChI

InChI=1S/C11H14ClNO/c1-3-9-6-4-5-7-10(9)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14)

InChIKey

LEROANWUUHYKKV-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-ethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.07639 Da
Monoisotopic Mass: 2.4
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]+	212.08367	145.8
[M+Na]+	234.06561	158.3
[M+NH4]+	229.11021	154.4
[M+K]+	250.03955	151.4
[M-H]-	210.06911	148.3
[M+Na-2H]-	232.05106	152.4
[M]+	211.07584	148.5
[M]-	211.07694	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe