CID 57648375

6-t-butylnaphthalen-2-boronic acid pinacol ester

Structural Information

Molecular Formula
C20H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)C(C)(C)C
InChI
InChI=1S/C20H27BO2/c1-18(2,3)16-10-8-15-13-17(11-9-14(15)12-16)21-22-19(4,5)20(6,7)23-21/h8-13H,1-7H3
InChIKey
UHISRQXMDRIYJQ-UHFFFAOYSA-N
Compound name
2-(6-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

310.21042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21770 171.7
[M+Na]+ 333.19964 181.3
[M-H]- 309.20314 181.3
[M+NH4]+ 328.24424 191.7
[M+K]+ 349.17358 179.8
[M+H-H2O]+ 293.20768 166.7
[M+HCOO]- 355.20862 188.6
[M+CH3COO]- 369.22427 208.4
[M+Na-2H]- 331.18509 177.1
[M]+ 310.20987 175.8
[M]- 310.21097 175.8
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