CID 3015881

36984-14-2

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N

InChI

InChI=1S/C10H12ClNO2/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H2,12,13)

InChIKey

DIQNVUMPQBMXFB-UHFFFAOYSA-N

Compound name

2-(4-chloro-2-methylphenoxy)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 213.05565 Da
Monoisotopic Mass: 2.5
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]+	214.062926	144.0
[M+Na]+	236.044868	152.5
[M-H]-	212.048374	147.5
[M+NH4]+	231.089473	163.3
[M+K]+	252.018808	149.3
[M+H-H2O]+	196.052910	139.2
[M+HCOO]-	258.053851	162.8
[M+CH3COO]-	272.069501	189.5
[M+Na-2H]-	234.030316	146.5
[M]+	213.05510142	146.3
[M]-	213.05619858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe