CID 44717206

871329-62-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

198.04997 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05725 139.6
[M+Na]+ 221.03919 149.7
[M+NH4]+ 216.08379 145.4
[M+K]+ 237.01313 146.3
[M-H]- 197.04269 137.7
[M+Na-2H]- 219.02464 143.2
[M]+ 198.04942 140.1
[M]- 198.05052 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe