CID 2773966

269410-00-6

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OCC
InChI
InChI=1S/C15H21BO4/c1-6-18-13(17)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChIKey
RQKGHIGGSFNVGW-UHFFFAOYSA-N
Compound name
ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 158.5
[M+Na]+ 299.14252 167.1
[M-H]- 275.14602 167.2
[M+NH4]+ 294.18712 178.4
[M+K]+ 315.11646 168.0
[M+H-H2O]+ 259.15056 154.2
[M+HCOO]- 321.15150 178.6
[M+CH3COO]- 335.16715 198.5
[M+Na-2H]- 297.12797 163.0
[M]+ 276.15275 164.0
[M]- 276.15385 164.0
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