CID 24212577

5-bromo-2-fluoro-n-isopropylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁BrFNO

SMILES

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

InChI

InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3,(H,13,14)

InChIKey

FHAJFNAHKVSINF-UHFFFAOYSA-N

Compound name

5-bromo-2-fluoro-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.0008 Da
Monoisotopic Mass: 2.8
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]+	260.008076	149.4
[M+Na]+	281.990018	160.1
[M-H]-	257.993524	154.6
[M+NH4]+	277.034623	169.7
[M+K]+	297.963958	148.9
[M+H-H2O]+	241.998060	148.0
[M+HCOO]-	303.999001	169.3
[M+CH3COO]-	318.014651	196.0
[M+Na-2H]-	279.975466	153.6
[M]+	259.00025142	166.3
[M]-	259.00134858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.