CID 2760596

171364-81-1

Structural Information

Molecular Formula
C14H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C14H19BO3/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1-5H3
InChIKey
BATKIZWNRQGSKE-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

246.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15001 152.5
[M+Na]+ 269.13195 164.8
[M+NH4]+ 264.17655 163.2
[M+K]+ 285.10589 158.0
[M-H]- 245.13545 158.1
[M+Na-2H]- 267.11740 160.3
[M]+ 246.14218 156.2
[M]- 246.14328 156.2
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