CID 7006651

5-bromo-2-iodopyrimidine

Structural Information

Molecular Formula

C₄H₂BrIN₂

SMILES

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

InChI

InChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H

InChIKey

ZEZKXPQIDURFKA-UHFFFAOYSA-N

Compound name

5-bromo-2-iodopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1871
Patents: 283.8446 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]+	284.85188	127.4
[M+Na]+	306.83382	133.9
[M-H]-	282.83732	125.1
[M+NH4]+	301.87842	144.1
[M+K]+	322.80776	129.7
[M+H-H2O]+	266.84186	123.8
[M+HCOO]-	328.84280	143.9
[M+CH3COO]-	342.85845	185.2
[M+Na-2H]-	304.81927	127.2
[M]+	283.84405	142.4
[M]-	283.84515	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe