CID 71306508

2-(6-butoxy-naphthalen-2-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Structural Information

Molecular Formula
C20H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)OCCCC
InChI
InChI=1S/C20H27BO3/c1-6-7-12-22-18-11-9-15-13-17(10-8-16(15)14-18)21-23-19(2,3)20(4,5)24-21/h8-11,13-14H,6-7,12H2,1-5H3
InChIKey
JICBTICLFXGOFE-UHFFFAOYSA-N
Compound name
2-(6-butoxynaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21260 176.3
[M+Na]+ 349.19454 185.2
[M-H]- 325.19804 185.5
[M+NH4]+ 344.23914 195.3
[M+K]+ 365.16848 183.7
[M+H-H2O]+ 309.20258 170.1
[M+HCOO]- 371.20352 194.8
[M+CH3COO]- 385.21917 210.6
[M+Na-2H]- 347.17999 180.5
[M]+ 326.20477 182.3
[M]- 326.20587 182.3
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

No patent data available for this compound.