CID 2760076

653589-95-8

Structural Information

Molecular Formula
C14H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3
InChIKey
GWSGJWIUSIAFOP-UHFFFAOYSA-N
Compound name
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14491 153.8
[M+Na]+ 285.12685 162.9
[M-H]- 261.13035 162.7
[M+NH4]+ 280.17145 174.3
[M+K]+ 301.10079 164.0
[M+H-H2O]+ 245.13489 149.7
[M+HCOO]- 307.13583 174.2
[M+CH3COO]- 321.15148 195.6
[M+Na-2H]- 283.11230 158.9
[M]+ 262.13708 158.9
[M]- 262.13818 158.9
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