CID 44717464

874289-40-4

Structural Information

Molecular Formula
C8H9BFNO3
SMILES
B(C1=C(C=CC(=C1)C(=O)NC)F)(O)O
InChI
InChI=1S/C8H9BFNO3/c1-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChIKey
YOQRSSHEHKHAGS-UHFFFAOYSA-N
Compound name
[2-fluoro-5-(methylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

197.06595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07323 139.9
[M+Na]+ 220.05517 149.2
[M+NH4]+ 215.09977 145.8
[M+K]+ 236.02911 145.8
[M-H]- 196.05867 138.8
[M+Na-2H]- 218.04062 143.7
[M]+ 197.06540 140.4
[M]- 197.06650 140.4
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