CID 44119097

3,5-dibromopyridine-4-boronic acid

Structural Information

Molecular Formula
C5H4BBr2NO2
SMILES
B(C1=C(C=NC=C1Br)Br)(O)O
InChI
InChI=1S/C5H4BBr2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2,10-11H
InChIKey
CCCKCHBPJIPSTG-UHFFFAOYSA-N
Compound name
(3,5-dibromopyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.87018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.87746 132.4
[M+Na]+ 301.85940 143.3
[M-H]- 277.86290 136.4
[M+NH4]+ 296.90400 150.1
[M+K]+ 317.83334 127.9
[M+H-H2O]+ 261.86744 140.4
[M+HCOO]- 323.86838 146.0
[M+CH3COO]- 337.88403 196.1
[M+Na-2H]- 299.84485 139.6
[M]+ 278.86963 165.1
[M]- 278.87073 165.1
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

No patent data available for this compound.