CID 16217834

4-((4'-chloro-3'-methylphenoxy)methyl)phenylboronic acid

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

38
Patents

276.07245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07973 157.9
[M+Na]+ 299.06167 166.4
[M-H]- 275.06517 162.4
[M+NH4]+ 294.10627 173.8
[M+K]+ 315.03561 161.2
[M+H-H2O]+ 259.06971 152.0
[M+HCOO]- 321.07065 174.2
[M+CH3COO]- 335.08630 193.6
[M+Na-2H]- 297.04712 161.0
[M]+ 276.07190 160.8
[M]- 276.07300 160.8
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