CID 44886928

3-fluoro-5-(diethylcarbamoyl)phenylboronic acid

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 151.5
[M+Na]+ 262.10212 157.7
[M-H]- 238.10562 152.6
[M+NH4]+ 257.14672 168.3
[M+K]+ 278.07606 156.4
[M+H-H2O]+ 222.11016 144.5
[M+HCOO]- 284.11110 171.5
[M+CH3COO]- 298.12675 194.4
[M+Na-2H]- 260.08757 152.4
[M]+ 239.11235 151.1
[M]- 239.11345 151.1
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