CID 44886928

871332-64-8

Structural Information

Molecular Formula
C11H15BFNO3
SMILES
B(C1=CC(=CC(=C1)F)C(=O)N(CC)CC)(O)O
InChI
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-5-9(12(16)17)7-10(13)6-8/h5-7,16-17H,3-4H2,1-2H3
InChIKey
PWFQDNPXVAYCOK-UHFFFAOYSA-N
Compound name
[3-(diethylcarbamoyl)-5-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12018 153.2
[M+Na]+ 262.10212 162.0
[M+NH4]+ 257.14672 158.8
[M+K]+ 278.07606 158.4
[M-H]- 238.10562 152.2
[M+Na-2H]- 260.08757 156.4
[M]+ 239.11235 153.7
[M]- 239.11345 153.7
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

No patent data available for this compound.