CID 37751

Butanamide, 4-(3-chlorophenoxy)-

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

C1=CC(=CC(=C1)Cl)OCCCC(=O)N

InChI

InChI=1S/C10H12ClNO2/c11-8-3-1-4-9(7-8)14-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2,(H2,12,13)

InChIKey

SQOQSTIONNEPLY-UHFFFAOYSA-N

Compound name

4-(3-chlorophenoxy)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 213.05565 Da
Monoisotopic Mass: 1.7
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	144.4
[M+Na]+	236.044868	152.3
[M-H]-	212.048374	147.5
[M+NH4]+	231.089473	163.5
[M+K]+	252.018808	148.5
[M+H-H2O]+	196.052910	139.2
[M+HCOO]-	258.053851	164.2
[M+CH3COO]-	272.069501	187.5
[M+Na-2H]-	234.030316	148.9
[M]+	213.05510142	146.9
[M]-	213.05619858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe