CID 45786348

4,4,5,5-tetramethyl-2-(4-phenylfuran-2-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)14-10-13(11-18-14)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
YWNCPGZDZUEPEZ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-phenylfuran-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

270.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15001 156.4
[M+Na]+ 293.13195 166.1
[M-H]- 269.13545 169.2
[M+NH4]+ 288.17655 176.7
[M+K]+ 309.10589 166.7
[M+H-H2O]+ 253.13999 152.5
[M+HCOO]- 315.14093 178.0
[M+CH3COO]- 329.15658 171.1
[M+Na-2H]- 291.11740 161.3
[M]+ 270.14218 161.0
[M]- 270.14328 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe