CID 2773962

269409-99-6

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC
InChI
InChI=1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChIKey
RFBZWPFBCXBBJS-UHFFFAOYSA-N
Compound name
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 160.0
[M+Na]+ 299.14252 171.6
[M+NH4]+ 294.18712 170.0
[M+K]+ 315.11646 165.2
[M-H]- 275.14602 165.0
[M+Na-2H]- 297.12797 167.2
[M]+ 276.15275 163.4
[M]- 276.15385 163.4
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