CID 45117390

4-bromo-6-chloropyrimidine

Structural Information

Molecular Formula

C₄H₂BrClN₂

SMILES

C1=C(N=CN=C1Br)Cl

InChI

InChI=1S/C4H2BrClN2/c5-3-1-4(6)8-2-7-3/h1-2H

InChIKey

AFMQGCFSFMXMLO-UHFFFAOYSA-N

Compound name

4-bromo-6-chloropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.909 Da
Monoisotopic Mass: 2.2
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]+	192.91628	127.3
[M+Na]+	214.89822	133.2
[M+NH4]+	209.94282	133.0
[M+K]+	230.87216	132.2
[M-H]-	190.90172	127.7
[M+Na-2H]-	212.88367	132.8
[M]+	191.90845	127.4
[M]-	191.90955	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe