CID 16218068

871126-29-3

Structural Information

Molecular Formula
C16H19BO4
SMILES
B(C1=CC=CC=C1COC2=CC=C(C=C2)CCOC)(O)O
InChI
InChI=1S/C16H19BO4/c1-20-11-10-13-6-8-15(9-7-13)21-12-14-4-2-3-5-16(14)17(18)19/h2-9,18-19H,10-12H2,1H3
InChIKey
AIHKULKLGCOJRY-UHFFFAOYSA-N
Compound name
[2-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14491 166.5
[M+Na]+ 309.12685 179.3
[M+NH4]+ 304.17145 173.5
[M+K]+ 325.10079 172.8
[M-H]- 285.13035 169.4
[M+Na-2H]- 307.11230 173.6
[M]+ 286.13708 169.1
[M]- 286.13818 169.1
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