CID 17750247

2-fluoro-3-methylpyridine-5-boronic acid

Structural Information

Molecular Formula
C6H7BFNO2
SMILES
B(C1=CC(=C(N=C1)F)C)(O)O
InChI
InChI=1S/C6H7BFNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3
InChIKey
XCWIMBMPJGQNHG-UHFFFAOYSA-N
Compound name
(6-fluoro-5-methylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

155.05539 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06267 126.9
[M+Na]+ 178.04461 136.1
[M-H]- 154.04811 126.0
[M+NH4]+ 173.08921 145.7
[M+K]+ 194.01855 133.9
[M+H-H2O]+ 138.05265 120.6
[M+HCOO]- 200.05359 146.4
[M+CH3COO]- 214.06924 171.9
[M+Na-2H]- 176.03006 132.3
[M]+ 155.05484 124.7
[M]- 155.05594 124.7
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