CID 16217694

4-(2'-chlorobenzyloxy)-3,5-dimethylphenylboronic acid

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

27
Patents

290.0881 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09538 162.1
[M+Na]+ 313.07732 171.2
[M-H]- 289.08082 166.8
[M+NH4]+ 308.12192 177.8
[M+K]+ 329.05126 165.8
[M+H-H2O]+ 273.08536 156.3
[M+HCOO]- 335.08630 178.1
[M+CH3COO]- 349.10195 197.8
[M+Na-2H]- 311.06277 164.0
[M]+ 290.08755 165.8
[M]- 290.08865 165.8
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