CID 20085404

4,6-dibromopyrimidine

Structural Information

Molecular Formula

C₄H₂Br₂N₂

SMILES

C1=C(N=CN=C1Br)Br

InChI

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

InChIKey

CEPVZSXIONCAJV-UHFFFAOYSA-N

Compound name

4,6-dibromopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 235.85847 Da
Monoisotopic Mass: 2.3
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]+	236.86575	119.0
[M+Na]+	258.84769	131.5
[M-H]-	234.85119	124.3
[M+NH4]+	253.89229	138.4
[M+K]+	274.82163	116.9
[M+H-H2O]+	218.85573	127.5
[M+HCOO]-	280.85667	135.3
[M+CH3COO]-	294.87232	193.6
[M+Na-2H]-	256.83314	130.1
[M]+	235.85792	152.9
[M]-	235.85902	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe