CID 11817803

4-butylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C16H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCCC
InChI
InChI=1S/C16H25BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h9-12H,6-8H2,1-5H3
InChIKey
CUOOVGGNLPMDIC-UHFFFAOYSA-N
Compound name
2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20204 157.7
[M+Na]+ 283.18398 166.0
[M-H]- 259.18748 166.0
[M+NH4]+ 278.22858 178.4
[M+K]+ 299.15792 165.6
[M+H-H2O]+ 243.19202 153.0
[M+HCOO]- 305.19296 177.8
[M+CH3COO]- 319.20861 197.9
[M+Na-2H]- 281.16943 162.4
[M]+ 260.19421 161.8
[M]- 260.19531 161.8
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