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

14
Patents

258.10635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.113626 156.0
[M+Na]+ 281.095568 162.6
[M-H]- 257.099074 160.2
[M+NH4]+ 276.140173 171.3
[M+K]+ 297.069508 159.7
[M+H-H2O]+ 241.103610 148.7
[M+HCOO]- 303.104551 176.9
[M+CH3COO]- 317.120201 190.8
[M+Na-2H]- 279.081016 160.2
[M]+ 258.10580142 157.5
[M]- 258.10689858 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