CID 44717543

874219-39-3

Structural Information

Molecular Formula
C9H11BFNO3
SMILES
B(C1=CC(=CC(=C1)F)C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-3-7(10(14)15)5-8(11)4-6/h3-5,14-15H,1-2H3
InChIKey
PSLVFPXQNCQCCY-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyl)-5-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.0816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08888 144.2
[M+Na]+ 234.07082 153.5
[M+NH4]+ 229.11542 150.2
[M+K]+ 250.04476 150.4
[M-H]- 210.07432 143.4
[M+Na-2H]- 232.05627 148.0
[M]+ 211.08105 144.9
[M]- 211.08215 144.9
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