CID 42614529

944392-68-1

Structural Information

Molecular Formula
C16H21BO6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3
InChIKey
IGSNWXAGFXHYOG-UHFFFAOYSA-N
Compound name
dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

320.14313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15041 168.4
[M+Na]+ 343.13235 178.8
[M+NH4]+ 338.17695 176.6
[M+K]+ 359.10629 174.2
[M-H]- 319.13585 171.9
[M+Na-2H]- 341.11780 173.9
[M]+ 320.14258 171.0
[M]- 320.14368 171.0
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