CID 44717486

2-fluoro-5-(methoxycarbamoyl)benzeneboronic acid

Structural Information

Molecular Formula
C8H9BFNO4
SMILES
B(C1=C(C=CC(=C1)C(=O)NOC)F)(O)O
InChI
InChI=1S/C8H9BFNO4/c1-15-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChIKey
BICVNGATAFRLPE-UHFFFAOYSA-N
Compound name
[2-fluoro-5-(methoxycarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.06087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06815 140.6
[M+Na]+ 236.05009 147.8
[M-H]- 212.05359 140.7
[M+NH4]+ 231.09469 157.7
[M+K]+ 252.02403 146.3
[M+H-H2O]+ 196.05813 133.9
[M+HCOO]- 258.05907 161.3
[M+CH3COO]- 272.07472 184.2
[M+Na-2H]- 234.03554 143.8
[M]+ 213.06032 139.2
[M]- 213.06142 139.2
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