CID 59852416

Tert-butyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate

Structural Information

Molecular Formula
C18H27BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC(=O)OC(C)(C)C
InChI
InChI=1S/C18H27BO5/c1-16(2,3)22-15(20)12-21-14-10-8-9-13(11-14)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3
InChIKey
MOOZLSQYGNTKMD-UHFFFAOYSA-N
Compound name
tert-butyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

334.19516 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20244 173.5
[M+Na]+ 357.18438 181.1
[M-H]- 333.18788 181.9
[M+NH4]+ 352.22898 191.1
[M+K]+ 373.15832 182.7
[M+H-H2O]+ 317.19242 169.5
[M+HCOO]- 379.19336 191.2
[M+CH3COO]- 393.20901 209.4
[M+Na-2H]- 355.16983 178.1
[M]+ 334.19461 181.0
[M]- 334.19571 181.0
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

patents stripe