CID 122199083

(2-ethoxy-3-fluoropyridin-4-yl)boronic acid

Structural Information

Molecular Formula
C7H9BFNO3
SMILES
B(C1=C(C(=NC=C1)OCC)F)(O)O
InChI
InChI=1S/C7H9BFNO3/c1-2-13-7-6(9)5(8(11)12)3-4-10-7/h3-4,11-12H,2H2,1H3
InChIKey
RTBKNBCPYSLQPC-UHFFFAOYSA-N
Compound name
(2-ethoxy-3-fluoro-4-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.073226 134.5
[M+Na]+ 208.055168 143.1
[M-H]- 184.058674 133.3
[M+NH4]+ 203.099773 152.0
[M+K]+ 224.029108 141.2
[M+H-H2O]+ 168.063210 127.7
[M+HCOO]- 230.064151 153.8
[M+CH3COO]- 244.079801 177.1
[M+Na-2H]- 206.040616 139.3
[M]+ 185.06540142 134.1
[M]- 185.06649858 134.1
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

No patent data available for this compound.