CID 87192295

2-bromo-4,5-dichloropyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe