CID 16217896

3-(4'-chlorobenzyloxy)phenylboronic acid

Structural Information

Molecular Formula
C13H12BClO3
SMILES
B(C1=CC(=CC=C1)OCC2=CC=C(C=C2)Cl)(O)O
InChI
InChI=1S/C13H12BClO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8,16-17H,9H2
InChIKey
TYILTVKJHDWCKU-UHFFFAOYSA-N
Compound name
[3-[(4-chlorophenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

262.0568 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06408 153.5
[M+Na]+ 285.04602 161.6
[M-H]- 261.04952 157.8
[M+NH4]+ 280.09062 169.7
[M+K]+ 301.01996 156.5
[M+H-H2O]+ 245.05406 147.7
[M+HCOO]- 307.05500 170.2
[M+CH3COO]- 321.07065 189.4
[M+Na-2H]- 283.03147 157.9
[M]+ 262.05625 155.6
[M]- 262.05735 155.6
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