CID 74892463

6-bromo-2-chloropyridine-3-boronic acid

Structural Information

Molecular Formula
C5H4BBrClNO2
SMILES
B(C1=C(N=C(C=C1)Br)Cl)(O)O
InChI
InChI=1S/C5H4BBrClNO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
InChIKey
TUOJKYPERFUOLE-UHFFFAOYSA-N
Compound name
(6-bromo-2-chloro-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.92798 133.1
[M+Na]+ 257.90992 146.4
[M-H]- 233.91342 136.2
[M+NH4]+ 252.95452 153.2
[M+K]+ 273.88386 133.8
[M+H-H2O]+ 217.91796 134.4
[M+HCOO]- 279.91890 147.2
[M+CH3COO]- 293.93455 180.8
[M+Na-2H]- 255.89537 140.4
[M]+ 234.92015 152.1
[M]- 234.92125 152.1
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.