CID 2783242

5-bromo-2-fluoropyridine-3-boronic acid (contains varying amounts of anhydride)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
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

literature stripe

Patent stripe

patents stripe