CID 200495

4-[(3-methylphenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H17BO3
SMILES
B1(OCC(O1)COC2=CC=CC(=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C16H17BO3/c1-13-6-5-9-15(10-13)18-11-16-12-19-17(20-16)14-7-3-2-4-8-14/h2-10,16H,11-12H2,1H3
InChIKey
FMZQKNBWZBVWKC-UHFFFAOYSA-N
Compound name
4-[(3-methylphenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13436 160.2
[M+Na]+ 291.11630 174.9
[M+NH4]+ 286.16090 169.4
[M+K]+ 307.09024 169.4
[M-H]- 267.11980 169.1
[M+Na-2H]- 289.10175 168.9
[M]+ 268.12653 165.0
[M]- 268.12763 165.0
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.