CID 27381

Brn 2863284

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₃

SMILES

CCCCOC1=C(C=C(C=C1)CC(=O)NO)Cl

InChI

InChI=1S/C12H16ClNO3/c1-2-3-6-17-11-5-4-9(7-10(11)13)8-12(15)14-16/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,15)

InChIKey

QWCMRXJDYXVLTM-UHFFFAOYSA-N

Compound name

2-(4-butoxy-3-chlorophenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 257.08188 Da
Monoisotopic Mass: 2.1
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]+	258.08916	156.0
[M+Na]+	280.07110	163.4
[M-H]-	256.07460	158.2
[M+NH4]+	275.11570	173.2
[M+K]+	296.04504	159.4
[M+H-H2O]+	240.07914	150.7
[M+HCOO]-	302.08008	174.5
[M+CH3COO]-	316.09573	194.2
[M+Na-2H]-	278.05655	159.4
[M]+	257.08133	160.1
[M]-	257.08243	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe