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

2
Patents

191.909 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.91628 121.8
[M+Na]+ 214.89822 136.4
[M-H]- 190.90172 126.0
[M+NH4]+ 209.94282 143.6
[M+K]+ 230.87216 124.6
[M+H-H2O]+ 174.90626 122.4
[M+HCOO]- 236.90720 138.7
[M+CH3COO]- 250.92285 177.7
[M+Na-2H]- 212.88367 133.0
[M]+ 191.90845 141.7
[M]- 191.90955 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