CID 124251258

Ethyl 5-bromo-4-chloropyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H6BrClN2O2
SMILES
CCOC(=O)C1=NC=C(C(=N1)Cl)Br
InChI
InChI=1S/C7H6BrClN2O2/c1-2-13-7(12)6-10-3-4(8)5(9)11-6/h3H,2H2,1H3
InChIKey
CYGLKAZAIBJBFB-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-4-chloropyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.9301 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93738 139.0
[M+Na]+ 286.91932 153.1
[M-H]- 262.92282 143.3
[M+NH4]+ 281.96392 158.1
[M+K]+ 302.89326 141.3
[M+H-H2O]+ 246.92736 138.9
[M+HCOO]- 308.92830 154.6
[M+CH3COO]- 322.94395 190.1
[M+Na-2H]- 284.90477 146.8
[M]+ 263.92955 161.7
[M]- 263.93065 161.7
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

No patent data available for this compound.