CID 4374267

4-methoxycarbonyl-2,6-difluorophenylboronic acid

Structural Information

Molecular Formula
C8H7BF2O4
SMILES
B(C1=C(C=C(C=C1F)C(=O)OC)F)(O)O
InChI
InChI=1S/C8H7BF2O4/c1-15-8(12)4-2-5(10)7(9(13)14)6(11)3-4/h2-3,13-14H,1H3
InChIKey
UAQVWIOVTATRBS-UHFFFAOYSA-N
Compound name
(2,6-difluoro-4-methoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04054 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04782 144.7
[M+Na]+ 239.02976 153.9
[M+NH4]+ 234.07436 149.5
[M+K]+ 255.00370 150.7
[M-H]- 215.03326 141.2
[M+Na-2H]- 237.01521 147.0
[M]+ 216.03999 144.5
[M]- 216.04109 144.5
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.