CID 45117391

2,4-dibromo-5-methylpyrimidine

Structural Information

Molecular Formula

C₅H₄Br₂N₂

SMILES

CC1=CN=C(N=C1Br)Br

InChI

InChI=1S/C5H4Br2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3

InChIKey

LMFZLHUYHRZZON-UHFFFAOYSA-N

Compound name

2,4-dibromo-5-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 249.87411 Da
Monoisotopic Mass: 2.6
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]+	250.88139	138.6
[M+Na]+	272.86333	134.8
[M+NH4]+	267.90793	140.8
[M+K]+	288.83727	141.1
[M-H]-	248.86683	139.1
[M+Na-2H]-	270.84878	141.1
[M]+	249.87356	137.2
[M]-	249.87466	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe