CID 46739131

2,6-dichloropyridine-4-boronic acid

Structural Information

Molecular Formula
C5H4BCl2NO2
SMILES
B(C1=CC(=NC(=C1)Cl)Cl)(O)O
InChI
InChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
InChIKey
JFUQZFQJFYZZGY-UHFFFAOYSA-N
Compound name
(2,6-dichloropyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

190.9712 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97848 128.7
[M+Na]+ 213.96042 139.2
[M-H]- 189.96392 128.5
[M+NH4]+ 209.00502 147.3
[M+K]+ 229.93436 134.5
[M+H-H2O]+ 173.96846 125.2
[M+HCOO]- 235.96940 140.0
[M+CH3COO]- 249.98505 175.1
[M+Na-2H]- 211.94587 134.2
[M]+ 190.97065 130.2
[M]- 190.97175 130.2
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