CID 111605

5-bromo-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C4HBrCl2N2
SMILES
C1=NC(=C(C(=N1)Cl)Br)Cl
InChI
InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
BKLHHTTZTSYHBV-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

194
Patents

225.87003 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.87731 133.8
[M+Na]+ 248.85925 140.5
[M+NH4]+ 243.90385 139.5
[M+K]+ 264.83319 138.9
[M-H]- 224.86275 134.0
[M+Na-2H]- 246.84470 138.9
[M]+ 225.86948 134.2
[M]- 225.87058 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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