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

12
Patents

258.10635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11363 156.0
[M+Na]+ 281.09557 162.6
[M-H]- 257.09907 160.2
[M+NH4]+ 276.14017 171.3
[M+K]+ 297.06951 159.7
[M+H-H2O]+ 241.10361 148.7
[M+HCOO]- 303.10455 176.9
[M+CH3COO]- 317.12020 190.8
[M+Na-2H]- 279.08102 160.2
[M]+ 258.10580 157.5
[M]- 258.10690 157.5
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