CID 24699169

2-bromo-n-(2-fluorophenyl)-3-methylbutanamide

Structural Information

Molecular Formula

C₁₁H₁₃BrFNO

SMILES

CC(C)C(C(=O)NC1=CC=CC=C1F)Br

InChI

InChI=1S/C11H13BrFNO/c1-7(2)10(12)11(15)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15)

InChIKey

YQQTWZCTTQOPDD-UHFFFAOYSA-N

Compound name

2-bromo-N-(2-fluorophenyl)-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.01645 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]+	274.023726	155.3
[M+Na]+	296.005668	164.4
[M-H]-	272.009174	159.9
[M+NH4]+	291.050273	174.7
[M+K]+	311.979608	153.4
[M+H-H2O]+	256.013710	153.5
[M+HCOO]-	318.014651	173.9
[M+CH3COO]-	332.030301	198.5
[M+Na-2H]-	293.991116	158.3
[M]+	273.01590142	171.5
[M]-	273.01699858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.