CID 16217899

2,6-difluoro-3-(3',5'-dimethoxybenzyloxy)phenylboronic acid

Structural Information

Molecular Formula
C15H15BF2O5
SMILES
B(C1=C(C=CC(=C1F)OCC2=CC(=CC(=C2)OC)OC)F)(O)O
InChI
InChI=1S/C15H15BF2O5/c1-21-10-5-9(6-11(7-10)22-2)8-23-13-4-3-12(17)14(15(13)18)16(19)20/h3-7,19-20H,8H2,1-2H3
InChIKey
CKMBETHVNGWKIN-UHFFFAOYSA-N
Compound name
[3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.09805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10533 168.5
[M+Na]+ 347.08727 177.2
[M-H]- 323.09077 170.8
[M+NH4]+ 342.13187 181.7
[M+K]+ 363.06121 174.2
[M+H-H2O]+ 307.09531 159.3
[M+HCOO]- 369.09625 187.0
[M+CH3COO]- 383.11190 205.1
[M+Na-2H]- 345.07272 168.9
[M]+ 324.09750 170.9
[M]- 324.09860 170.9
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