CID 44755205

1073355-18-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.