CID 52987987

(3-fluoro-2-methoxypyridin-4-yl)boronic acid

Structural Information

Molecular Formula
C6H7BFNO3
SMILES
B(C1=C(C(=NC=C1)OC)F)(O)O
InChI
InChI=1S/C6H7BFNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3,10-11H,1H3
InChIKey
GEAQIISIRPULKJ-UHFFFAOYSA-N
Compound name
(3-fluoro-2-methoxypyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

171.05031 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05759 132.3
[M+Na]+ 194.03953 143.3
[M+NH4]+ 189.08413 138.6
[M+K]+ 210.01347 139.4
[M-H]- 170.04303 130.6
[M+Na-2H]- 192.02498 136.9
[M]+ 171.04976 133.0
[M]- 171.05086 133.0
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