CID 57497278

2,3-dimethoxy-6-fluorophenylboronic acid

Structural Information

Molecular Formula
C8H10BFO4
SMILES
B(C1=C(C=CC(=C1OC)OC)F)(O)O
InChI
InChI=1S/C8H10BFO4/c1-13-6-4-3-5(10)7(9(11)12)8(6)14-2/h3-4,11-12H,1-2H3
InChIKey
NLUMLIMEFPUAGS-UHFFFAOYSA-N
Compound name
(6-fluoro-2,3-dimethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06561 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07289 136.8
[M+Na]+ 223.05483 145.8
[M-H]- 199.05833 137.3
[M+NH4]+ 218.09943 155.2
[M+K]+ 239.02877 144.5
[M+H-H2O]+ 183.06287 130.8
[M+HCOO]- 245.06381 157.3
[M+CH3COO]- 259.07946 180.8
[M+Na-2H]- 221.04028 140.4
[M]+ 200.06506 138.1
[M]- 200.06616 138.1
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.