CID 16217833

3-bromo-2-(3'-methoxybenzyloxy)phenylboronic acid

Structural Information

Molecular Formula
C14H14BBrO4
SMILES
B(C1=C(C(=CC=C1)Br)OCC2=CC(=CC=C2)OC)(O)O
InChI
InChI=1S/C14H14BBrO4/c1-19-11-5-2-4-10(8-11)9-20-14-12(15(17)18)6-3-7-13(14)16/h2-8,17-18H,9H2,1H3
InChIKey
JNPYQBOHAURAQI-UHFFFAOYSA-N
Compound name
[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

336.01685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02413 166.6
[M+Na]+ 359.00607 176.4
[M-H]- 335.00957 173.3
[M+NH4]+ 354.05067 182.7
[M+K]+ 374.98001 165.3
[M+H-H2O]+ 319.01411 165.3
[M+HCOO]- 381.01505 184.9
[M+CH3COO]- 395.03070 201.2
[M+Na-2H]- 356.99152 170.8
[M]+ 336.01630 186.9
[M]- 336.01740 186.9
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