CID 16217834

849052-25-1

Structural Information

Molecular Formula
C14H14BClO3
SMILES
B(C1=CC=C(C=C1)COC2=CC(=C(C=C2)Cl)C)(O)O
InChI
InChI=1S/C14H14BClO3/c1-10-8-13(6-7-14(10)16)19-9-11-2-4-12(5-3-11)15(17)18/h2-8,17-18H,9H2,1H3
InChIKey
OUKUADBAEFEIGP-UHFFFAOYSA-N
Compound name
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

276.07245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07973 159.6
[M+Na]+ 299.06167 174.6
[M+NH4]+ 294.10627 167.9
[M+K]+ 315.03561 167.3
[M-H]- 275.06517 163.2
[M+Na-2H]- 297.04712 167.7
[M]+ 276.07190 163.2
[M]- 276.07300 163.2
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