CID 16217694

849052-15-9

Structural Information

Molecular Formula
C15H16BClO3
SMILES
B(C1=CC(=C(C(=C1)C)OCC2=CC=CC=C2Cl)C)(O)O
InChI
InChI=1S/C15H16BClO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8,18-19H,9H2,1-2H3
InChIKey
UDKYOMYSPIEDTK-UHFFFAOYSA-N
Compound name
[4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

290.0881 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09538 164.0
[M+Na]+ 313.07732 179.1
[M+NH4]+ 308.12192 172.1
[M+K]+ 329.05126 171.8
[M-H]- 289.08082 167.6
[M+Na-2H]- 311.06277 171.6
[M]+ 290.08755 167.6
[M]- 290.08865 167.6
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

patents stripe