CID 112692769

4-bromo-5-chloropyrimidine

Structural Information

Molecular Formula
C4H2BrClN2
SMILES
C1=C(C(=NC=N1)Br)Cl
InChI
InChI=1S/C4H2BrClN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKey
JQJJHFUJRMYKQC-UHFFFAOYSA-N
Compound name
4-bromo-5-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.909 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.916276 121.8
[M+Na]+ 214.898218 136.4
[M-H]- 190.901724 126.0
[M+NH4]+ 209.942823 143.6
[M+K]+ 230.872158 124.6
[M+H-H2O]+ 174.906260 122.4
[M+HCOO]- 236.907201 138.7
[M+CH3COO]- 250.922851 177.7
[M+Na-2H]- 212.883666 133.0
[M]+ 191.90845142 141.7
[M]- 191.90954858 141.7
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