CID 20534774

Refchem:507938

Structural Information

Molecular Formula

C₄H₃Br₂N₃

SMILES

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

InChI

InChI=1S/C4H3Br2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2

InChIKey

CHVSSWRHLONGJZ-UHFFFAOYSA-N

Compound name

4,6-dibromopyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.86937 Da
Monoisotopic Mass: 1.6
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]+	251.87665	123.8
[M+Na]+	273.85859	135.9
[M-H]-	249.86209	128.6
[M+NH4]+	268.90319	142.2
[M+K]+	289.83253	120.3
[M+H-H2O]+	233.86663	131.1
[M+HCOO]-	295.86757	140.1
[M+CH3COO]-	309.88322	197.4
[M+Na-2H]-	271.84404	133.3
[M]+	250.86882	156.4
[M]-	250.86992	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe