CID 4396970

3-bromo-n-(pyridin-3-yl)benzamide

Structural Information

Molecular Formula

C₁₂H₉BrN₂O

SMILES

C1=CC(=CC(=C1)Br)C(=O)NC2=CN=CC=C2

InChI

InChI=1S/C12H9BrN2O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1-8H,(H,15,16)

InChIKey

YBXUQVCTKPMFHF-UHFFFAOYSA-N

Compound name

3-bromo-N-pyridin-3-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 275.98984 Da
Monoisotopic Mass: 2.4
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]+	276.99712	150.6
[M+Na]+	298.97906	155.3
[M+NH4]+	294.02366	155.5
[M+K]+	314.95300	154.4
[M-H]-	274.98256	153.3
[M+Na-2H]-	296.96451	157.1
[M]+	275.98929	150.9
[M]-	275.99039	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe