CID 24901779

5-chloro-2-fluoropyridine-3-boronic acid

Structural Information

Molecular Formula
C5H4BClFNO2
SMILES
B(C1=CC(=CN=C1F)Cl)(O)O
InChI
InChI=1S/C5H4BClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChIKey
ZUDXVHDVUTUTFH-UHFFFAOYSA-N
Compound name
(5-chloro-2-fluoropyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

175.00076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00804 126.3
[M+Na]+ 197.98998 136.6
[M-H]- 173.99348 125.3
[M+NH4]+ 193.03458 145.1
[M+K]+ 213.96392 132.8
[M+H-H2O]+ 157.99802 121.0
[M+HCOO]- 219.99896 141.6
[M+CH3COO]- 234.01461 172.8
[M+Na-2H]- 195.97543 131.9
[M]+ 175.00021 125.7
[M]- 175.00131 125.7
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