CID 2774004

480424-70-2

Structural Information

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

28
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.144906 153.8
[M+Na]+ 285.126848 162.9
[M-H]- 261.130354 162.7
[M+NH4]+ 280.171453 174.3
[M+K]+ 301.100788 164.0
[M+H-H2O]+ 245.134890 149.7
[M+HCOO]- 307.135831 174.2
[M+CH3COO]- 321.151481 195.6
[M+Na-2H]- 283.112296 158.9
[M]+ 262.13708142 158.9
[M]- 262.13817858 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