CID 4374269

5-fluoro-2-methoxycarbonylphenylboronic acid

Structural Information

Molecular Formula
C8H8BFO4
SMILES
B(C1=C(C=CC(=C1)F)C(=O)OC)(O)O
InChI
InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3
InChIKey
CHDCMVDJRAQCTJ-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

198.04997 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05725 136.2
[M+Na]+ 221.03919 144.4
[M-H]- 197.04269 136.5
[M+NH4]+ 216.08379 154.4
[M+K]+ 237.01313 143.0
[M+H-H2O]+ 181.04723 130.2
[M+HCOO]- 243.04817 156.0
[M+CH3COO]- 257.06382 179.0
[M+Na-2H]- 219.02464 139.3
[M]+ 198.04942 135.7
[M]- 198.05052 135.7
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