CID 71102111

1362243-63-7

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)C)C
InChI
InChI=1S/C15H21BO3/c1-10-7-8-12(11(2)17)9-13(10)16-18-14(3,4)15(5,6)19-16/h7-9H,1-6H3
InChIKey
ANEPBUQAMZVFLG-UHFFFAOYSA-N
Compound name
1-[4-methyl-3-(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

8
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 156.2
[M+Na]+ 283.14762 168.6
[M+NH4]+ 278.19222 166.7
[M+K]+ 299.12156 161.9
[M-H]- 259.15112 161.8
[M+Na-2H]- 281.13307 163.6
[M]+ 260.15785 160.0
[M]- 260.15895 160.0
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

patents stripe