CID 3614350

14529-54-5

Structural Information

Molecular Formula

C₆H₅Br₂NO

SMILES

CN1C=C(C=C(C1=O)Br)Br

InChI

InChI=1S/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3

InChIKey

AOJAJTJZSBVNPU-UHFFFAOYSA-N

Compound name

3,5-dibromo-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 377
Patents: 264.87378 Da
Monoisotopic Mass: 1.7
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]+	265.881056	126.0
[M+Na]+	287.862998	139.2
[M-H]-	263.866504	132.6
[M+NH4]+	282.907603	145.9
[M+K]+	303.836938	124.2
[M+H-H2O]+	247.871040	134.5
[M+HCOO]-	309.871981	142.9
[M+CH3COO]-	323.887631	198.6
[M+Na-2H]-	285.848446	134.8
[M]+	264.87323142	161.0
[M]-	264.87432858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe