CID 2762713

(2,6-difluoropyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C5H4BF2NO2
SMILES
B(C1=C(N=C(C=C1)F)F)(O)O
InChI
InChI=1S/C5H4BF2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
InChIKey
LCCZTROJRJFXNV-UHFFFAOYSA-N
Compound name
(2,6-difluoropyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

159.03032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03760 124.7
[M+Na]+ 182.01954 134.3
[M-H]- 158.02304 122.5
[M+NH4]+ 177.06414 143.2
[M+K]+ 197.99348 131.9
[M+H-H2O]+ 142.02758 117.6
[M+HCOO]- 204.02852 143.4
[M+CH3COO]- 218.04417 171.7
[M+Na-2H]- 180.00499 130.0
[M]+ 159.02977 121.0
[M]- 159.03087 121.0
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