CID 11097791

478375-42-7

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC(=O)OC
InChI
InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(17)18-5/h6-9H,10H2,1-5H3
InChIKey
BLPDNEGFSINGPV-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 160.0
[M+Na]+ 299.14252 171.6
[M+NH4]+ 294.18712 170.0
[M+K]+ 315.11646 165.2
[M-H]- 275.14602 165.0
[M+Na-2H]- 297.12797 167.2
[M]+ 276.15275 163.4
[M]- 276.15385 163.4
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