CID 2055944

Cuspin-1

Structural Information

Molecular Formula

C₁₃H₁₀BrNO

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C13H10BrNO/c1-9-2-4-10(5-3-9)13(16)11-6-12(14)8-15-7-11/h2-8H,1H3

InChIKey

AJZRSLVRFSCCIL-UHFFFAOYSA-N

Compound name

(5-bromopyridin-3-yl)-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
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	149.6
[M+Na]+	297.98379	155.6
[M+NH4]+	293.02839	154.8
[M+K]+	313.95773	154.3
[M-H]-	273.98729	152.2
[M+Na-2H]-	295.96924	156.1
[M]+	274.99402	150.2
[M]-	274.99512	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.