CID 46311118

Methyl 3,5-dibromo-4-pyridinecarboxylate

Structural Information

Molecular Formula
C7H5Br2NO2
SMILES
COC(=O)C1=C(C=NC=C1Br)Br
InChI
InChI=1S/C7H5Br2NO2/c1-12-7(11)6-4(8)2-10-3-5(6)9/h2-3H,1H3
InChIKey
OTAPIZRUTJEJPF-UHFFFAOYSA-N
Compound name
methyl 3,5-dibromopyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.8687 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.87598 133.7
[M+Na]+ 315.85792 145.5
[M-H]- 291.86142 139.9
[M+NH4]+ 310.90252 152.3
[M+K]+ 331.83186 131.0
[M+H-H2O]+ 275.86596 141.7
[M+HCOO]- 337.86690 149.7
[M+CH3COO]- 351.88255 201.6
[M+Na-2H]- 313.84337 141.5
[M]+ 292.86815 169.2
[M]- 292.86925 169.2
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

No patent data available for this compound.