CID 3756084

179942-45-1

Structural Information

Molecular Formula

C₁₆H₂₃BO₃Si

SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)O[Si](C)(C)C(C)(C)C)(O)O

InChI

InChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3

InChIKey

QJXUSWJSQVIBCP-UHFFFAOYSA-N

Compound name

[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 302.15094 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.15822	169.6
[M+Na]+	325.14016	175.9
[M-H]-	301.14366	171.3
[M+NH4]+	320.18476	185.5
[M+K]+	341.11410	172.9
[M+H-H2O]+	285.14820	164.2
[M+HCOO]-	347.14914	184.4
[M+CH3COO]-	361.16479	199.9
[M+Na-2H]-	323.12561	174.7
[M]+	302.15039	171.2
[M]-	302.15149	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe