CID 16217892

4,5-difluoro-2-ethoxyphenylboronic acid

Structural Information

Molecular Formula
C8H9BF2O3
SMILES
B(C1=CC(=C(C=C1OCC)F)F)(O)O
InChI
InChI=1S/C8H9BF2O3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4,12-13H,2H2,1H3
InChIKey
DIDGIGNOIJJEGJ-UHFFFAOYSA-N
Compound name
(2-ethoxy-4,5-difluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

202.06128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06856 136.6
[M+Na]+ 225.05050 145.7
[M-H]- 201.05400 135.7
[M+NH4]+ 220.09510 155.0
[M+K]+ 241.02444 143.4
[M+H-H2O]+ 185.05854 129.9
[M+HCOO]- 247.05948 155.8
[M+CH3COO]- 261.07513 181.4
[M+Na-2H]- 223.03595 139.6
[M]+ 202.06073 135.3
[M]- 202.06183 135.3
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