CID 16218050

871125-75-6

Structural Information

Molecular Formula
C14H15BO4
SMILES
B(C1=CC(=CC=C1)OCC2=CC(=CC=C2)OC)(O)O
InChI
InChI=1S/C14H15BO4/c1-18-13-6-2-4-11(8-13)10-19-14-7-3-5-12(9-14)15(16)17/h2-9,16-17H,10H2,1H3
InChIKey
BLIXUNCSDKZOOX-UHFFFAOYSA-N
Compound name
[3-[(3-methoxyphenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.10635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11363 157.4
[M+Na]+ 281.09557 170.6
[M+NH4]+ 276.14017 164.8
[M+K]+ 297.06951 164.6
[M-H]- 257.09907 160.4
[M+Na-2H]- 279.08102 165.1
[M]+ 258.10580 160.1
[M]- 258.10690 160.1
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