CID 2762706

223463-14-7

Structural Information

Molecular Formula
C5H5BBrNO2
SMILES
B(C1=CN=C(C=C1)Br)(O)O
InChI
InChI=1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKey
BCYWDUVHAPHGIP-UHFFFAOYSA-N
Compound name
(6-bromopyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

508
Patents

200.95967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.96695 130.2
[M+Na]+ 223.94889 141.6
[M-H]- 199.95239 133.0
[M+NH4]+ 218.99349 150.4
[M+K]+ 239.92283 130.9
[M+H-H2O]+ 183.95693 130.4
[M+HCOO]- 245.95787 148.6
[M+CH3COO]- 259.97352 176.1
[M+Na-2H]- 221.93434 138.3
[M]+ 200.95912 147.0
[M]- 200.96022 147.0
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