CID 54594505

1334327-75-1

Structural Information

Molecular Formula
C11H14BFO4
SMILES
B(C1=C(C=CC(=C1)F)OCC2CCOC2)(O)O
InChI
InChI=1S/C11H14BFO4/c13-9-1-2-11(10(5-9)12(14)15)17-7-8-3-4-16-6-8/h1-2,5,8,14-15H,3-4,6-7H2
InChIKey
ISHHPIKLPAYAEH-UHFFFAOYSA-N
Compound name
[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09692 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10420 149.6
[M+Na]+ 263.08614 155.5
[M-H]- 239.08964 152.8
[M+NH4]+ 258.13074 166.1
[M+K]+ 279.06008 154.2
[M+H-H2O]+ 223.09418 142.8
[M+HCOO]- 285.09512 167.5
[M+CH3COO]- 299.11077 185.0
[M+Na-2H]- 261.07159 151.4
[M]+ 240.09637 147.6
[M]- 240.09747 147.6
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.