CID 5243931

2-amino-4'-bromobenzophenone

Structural Information

Molecular Formula

C₁₃H₁₀BrNO

SMILES

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

InChI

InChI=1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2

InChIKey

WIISOMGJWLLMDG-UHFFFAOYSA-N

Compound name

(2-aminophenyl)-(4-bromophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 274.99457 Da
Monoisotopic Mass: 4.0
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	150.6
[M+Na]+	297.98379	155.4
[M+NH4]+	293.02839	155.9
[M+K]+	313.95773	154.4
[M-H]-	273.98729	153.9
[M+Na-2H]-	295.96924	156.7
[M]+	274.99402	151.1
[M]-	274.99512	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe