CID 200639

1,3,2-dioxaborolane, 4-((2-methoxyphenoxy)methyl)-2-phenyl-

Structural Information

Molecular Formula
C16H17BO4
SMILES
B1(OCC(O1)COC2=CC=CC=C2OC)C3=CC=CC=C3
InChI
InChI=1S/C16H17BO4/c1-18-15-9-5-6-10-16(15)19-11-14-12-20-17(21-14)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3
InChIKey
JGCDMWRHQDAOBV-UHFFFAOYSA-N
Compound name
4-[(2-methoxyphenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12198 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12926 162.4
[M+Na]+ 307.11120 168.9
[M-H]- 283.11470 173.3
[M+NH4]+ 302.15580 176.9
[M+K]+ 323.08514 168.6
[M+H-H2O]+ 267.11924 154.8
[M+HCOO]- 329.12018 184.2
[M+CH3COO]- 343.13583 197.6
[M+Na-2H]- 305.09665 167.0
[M]+ 284.12143 165.5
[M]- 284.12253 165.5
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

No patent data available for this compound.