CID 10955588

2,5-dibromopyrimidine

Structural Information

Molecular Formula

C₄H₂Br₂N₂

SMILES

C1=C(C=NC(=N1)Br)Br

InChI

InChI=1S/C4H2Br2N2/c5-3-1-7-4(6)8-2-3/h1-2H

InChIKey

XAHITOJPIWZJHD-UHFFFAOYSA-N

Compound name

2,5-dibromopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 441
Patents: 235.85847 Da
Monoisotopic Mass: 1.9
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]+	236.865746	119.0
[M+Na]+	258.847688	131.5
[M-H]-	234.851194	124.3
[M+NH4]+	253.892293	138.4
[M+K]+	274.821628	116.9
[M+H-H2O]+	218.855730	127.5
[M+HCOO]-	280.856671	135.3
[M+CH3COO]-	294.872321	193.6
[M+Na-2H]-	256.833136	130.1
[M]+	235.85792142	153.0
[M]-	235.85901858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe