CID 63386157

N-[4-(2-bromobutanoyl)phenyl]acetamide

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

CCC(C(=O)C1=CC=C(C=C1)NC(=O)C)Br

InChI

InChI=1S/C12H14BrNO2/c1-3-11(13)12(16)9-4-6-10(7-5-9)14-8(2)15/h4-7,11H,3H2,1-2H3,(H,14,15)

InChIKey

KVUIKXCSRNPPMJ-UHFFFAOYSA-N

Compound name

N-[4-(2-bromobutanoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 283.02078 Da
Monoisotopic Mass: 3.0
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]+	284.028056	156.9
[M+Na]+	306.009998	165.8
[M-H]-	282.013504	162.7
[M+NH4]+	301.054603	175.8
[M+K]+	321.983938	154.9
[M+H-H2O]+	266.018040	155.7
[M+HCOO]-	328.018981	176.6
[M+CH3COO]-	342.034631	199.9
[M+Na-2H]-	303.995446	160.2
[M]+	283.02023142	175.3
[M]-	283.02132858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe