CID 86135994

4-bromo-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C4HBrCl2N2
SMILES
C1=C(N=C(N=C1Br)Cl)Cl
InChI
InChI=1S/C4HBrCl2N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey
DQKJOXAJZKPHOH-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.87003 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.87731 125.4
[M+Na]+ 248.85925 141.3
[M-H]- 224.86275 129.2
[M+NH4]+ 243.90385 146.5
[M+K]+ 264.83319 128.1
[M+H-H2O]+ 208.86729 126.5
[M+HCOO]- 270.86823 137.3
[M+CH3COO]- 284.88388 183.2
[M+Na-2H]- 246.84470 135.3
[M]+ 225.86948 146.1
[M]- 225.87058 146.1
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