CID 4577181

177171-16-3

Structural Information

Molecular Formula

C₉H₁₅BO₂Si

SMILES

B(C1=CC(=CC=C1)[Si](C)(C)C)(O)O

InChI

InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3

InChIKey

REMKRZLFPLDTKR-UHFFFAOYSA-N

Compound name

(3-trimethylsilylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 194.09343 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]+	195.10071	140.2
[M+Na]+	217.08265	147.0
[M-H]-	193.08615	141.3
[M+NH4]+	212.12725	159.2
[M+K]+	233.05659	144.9
[M+H-H2O]+	177.09069	135.4
[M+HCOO]-	239.09163	159.0
[M+CH3COO]-	253.10728	178.0
[M+Na-2H]-	215.06810	145.2
[M]+	194.09288	139.2
[M]-	194.09398	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe