CID 44755186

1072944-23-0

Structural Information

Molecular Formula
C7H9BBrNO2
SMILES
B(C1=C(N=C(C=C1C)Br)C)(O)O
InChI
InChI=1S/C7H9BBrNO2/c1-4-3-6(9)10-5(2)7(4)8(11)12/h3,11-12H,1-2H3
InChIKey
GXXITYQLWOMIEM-UHFFFAOYSA-N
Compound name
(6-bromo-2,4-dimethylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.99097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99825 140.0
[M+Na]+ 251.98019 143.2
[M+NH4]+ 247.02479 143.9
[M+K]+ 267.95413 144.5
[M-H]- 227.98369 139.0
[M+Na-2H]- 249.96564 142.2
[M]+ 228.99042 138.9
[M]- 228.99152 138.9
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.