CID 154644468

2454397-99-8

Structural Information

Molecular Formula
C17H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=CC3=CC=C2)C
InChI
InChI=1S/C17H21BO2/c1-12-8-6-9-13-10-7-11-14(15(12)13)18-19-16(2,3)17(4,5)20-18/h6-11H,1-5H3
InChIKey
OUFWQGLUAVLHDA-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(8-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

268.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17073 158.7
[M+Na]+ 291.15267 169.2
[M-H]- 267.15617 168.6
[M+NH4]+ 286.19727 180.3
[M+K]+ 307.12661 167.8
[M+H-H2O]+ 251.16071 153.4
[M+HCOO]- 313.16165 178.3
[M+CH3COO]- 327.17730 172.8
[M+Na-2H]- 289.13812 164.5
[M]+ 268.16290 162.4
[M]- 268.16400 162.4
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