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 159.5
[M+Na]+ 291.11630 166.2
[M-H]- 267.11980 170.4
[M+NH4]+ 286.16090 174.7
[M+K]+ 307.09024 165.3
[M+H-H2O]+ 251.12434 152.2
[M+HCOO]- 313.12528 181.1
[M+CH3COO]- 327.14093 172.3
[M+Na-2H]- 289.10175 164.0
[M]+ 268.12653 161.2
[M]- 268.12763 161.2
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.