CID 88697

Acetamide, 2-(4-butoxy-3-chlorophenyl)-

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂

SMILES

CCCCOC1=C(C=CC(=C1)NC(=O)C)Cl

InChI

InChI=1S/C12H16ClNO2/c1-3-4-7-16-12-8-10(14-9(2)15)5-6-11(12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)

InChIKey

SIAVQKMJEQDNQH-UHFFFAOYSA-N

Compound name

N-(3-butoxy-4-chlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.08696 Da
Monoisotopic Mass: 3.1
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]+	242.094236	153.1
[M+Na]+	264.076178	161.1
[M-H]-	240.079684	156.7
[M+NH4]+	259.120783	171.7
[M+K]+	280.050118	157.3
[M+H-H2O]+	224.084220	147.7
[M+HCOO]-	286.085161	172.8
[M+CH3COO]-	300.100811	194.6
[M+Na-2H]-	262.061626	156.8
[M]+	241.08641142	157.6
[M]-	241.08750858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.