CID 16217875

4-[(4'-(2-methoxyethyl)phenoxy)methyl]phenylboronic acid

Structural Information

Molecular Formula
C16H19BO4
SMILES
B(C1=CC=C(C=C1)COC2=CC=C(C=C2)CCOC)(O)O
InChI
InChI=1S/C16H19BO4/c1-20-11-10-13-4-8-16(9-5-13)21-12-14-2-6-15(7-3-14)17(18)19/h2-9,18-19H,10-12H2,1H3
InChIKey
LZLHTPXZVHZUQB-UHFFFAOYSA-N
Compound name
[4-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

286.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14491 165.2
[M+Na]+ 309.12685 170.9
[M-H]- 285.13035 169.0
[M+NH4]+ 304.17145 179.3
[M+K]+ 325.10079 167.6
[M+H-H2O]+ 269.13489 157.5
[M+HCOO]- 331.13583 185.4
[M+CH3COO]- 345.15148 196.7
[M+Na-2H]- 307.11230 168.3
[M]+ 286.13708 167.4
[M]- 286.13818 167.4
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