CID 44631046

1072951-43-9

Structural Information

Molecular Formula
C5H4BBrFNO2
SMILES
B(C1=CC(=NC=C1F)Br)(O)O
InChI
InChI=1S/C5H4BBrFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2,10-11H
InChIKey
AXQCYFLMAUPOLN-UHFFFAOYSA-N
Compound name
(2-bromo-5-fluoropyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

218.95026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95754 133.3
[M+Na]+ 241.93948 145.6
[M-H]- 217.94298 135.1
[M+NH4]+ 236.98408 153.0
[M+K]+ 257.91342 134.4
[M+H-H2O]+ 201.94752 132.7
[M+HCOO]- 263.94846 150.7
[M+CH3COO]- 277.96411 179.7
[M+Na-2H]- 239.92493 140.0
[M]+ 218.94971 149.4
[M]- 218.95081 149.4
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