CID 101805854

1-(4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 156.7
[M+Na]+ 299.14252 166.2
[M-H]- 275.14602 165.7
[M+NH4]+ 294.18712 176.8
[M+K]+ 315.11646 167.1
[M+H-H2O]+ 259.15056 152.8
[M+HCOO]- 321.15150 176.8
[M+CH3COO]- 335.16715 200.5
[M+Na-2H]- 297.12797 160.8
[M]+ 276.15275 162.7
[M]- 276.15385 162.7
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.