CID 139257428

1384055-50-8

Structural Information

Molecular Formula
C18H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=CC=CC=C23)OCOC
InChI
InChI=1S/C18H23BO4/c1-17(2)18(3,4)23-19(22-17)16-14-9-7-6-8-13(14)10-11-15(16)21-12-20-5/h6-11H,12H2,1-5H3
InChIKey
UWJIPUCCCZMVRI-UHFFFAOYSA-N
Compound name
2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17623 170.0
[M+Na]+ 337.15817 179.6
[M-H]- 313.16167 179.6
[M+NH4]+ 332.20277 189.5
[M+K]+ 353.13211 179.3
[M+H-H2O]+ 297.16621 164.2
[M+HCOO]- 359.16715 189.5
[M+CH3COO]- 373.18280 206.8
[M+Na-2H]- 335.14362 175.6
[M]+ 314.16840 176.9
[M]- 314.16950 176.9
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