CID 16217833

849052-24-0

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

13
Patents

336.01685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02413 165.8
[M+Na]+ 359.00607 169.6
[M+NH4]+ 354.05067 169.5
[M+K]+ 374.98001 169.8
[M-H]- 335.00957 167.1
[M+Na-2H]- 356.99152 169.6
[M]+ 336.01630 165.5
[M]- 336.01740 165.5
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