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]+	214.06293	143.8
[M+Na]+	236.04487	156.0
[M+NH4]+	231.08947	151.9
[M+K]+	252.01881	149.4
[M-H]-	212.04837	145.8
[M+Na-2H]-	234.03032	150.1
[M]+	213.05510	146.3
[M]-	213.05620	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe