CID 690966

4-bromo-n-phenylbenzamide

Structural Information

Molecular Formula

C₁₃H₁₀BrNO

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)

InChIKey

QVTGXXQAVWWJRO-UHFFFAOYSA-N

Compound name

4-bromo-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 274.99457 Da
Monoisotopic Mass: 3.3
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]+	276.00185	150.7
[M+Na]+	297.98379	155.4
[M+NH4]+	293.02839	156.1
[M+K]+	313.95773	154.0
[M-H]-	273.98729	154.1
[M+Na-2H]-	295.96924	157.4
[M]+	274.99402	151.2
[M]-	274.99512	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe