CID 721318

2-bromo-n-(furan-2-ylmethyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₂

SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)Br

InChI

InChI=1S/C12H10BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15)

InChIKey

SOBQMAPZTVNYBB-UHFFFAOYSA-N

Compound name

2-bromo-N-(furan-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 278.9895 Da
Monoisotopic Mass: 2.5
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]+	279.99678	156.6
[M+Na]+	301.97872	167.0
[M-H]-	277.98222	166.5
[M+NH4]+	297.02332	176.2
[M+K]+	317.95266	157.0
[M+H-H2O]+	261.98676	155.7
[M+HCOO]-	323.98770	179.5
[M+CH3COO]-	338.00335	194.9
[M+Na-2H]-	299.96417	163.0
[M]+	278.98895	176.0
[M]-	278.99005	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe