CID 569210

Diisopropoxyphenylborane

Structural Information

Molecular Formula

C₁₂H₁₉BO₂

SMILES

B(C1=CC=CC=C1)(OC(C)C)OC(C)C

InChI

InChI=1S/C12H19BO2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3

InChIKey

DQKUIEDINFBQDR-UHFFFAOYSA-N

Compound name

phenyl-di(propan-2-yloxy)borane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 206.14781 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]+	207.15509	147.5
[M+Na]+	229.13703	158.8
[M+NH4]+	224.18163	155.6
[M+K]+	245.11097	153.3
[M-H]-	205.14053	149.2
[M+Na-2H]-	227.12248	153.4
[M]+	206.14726	149.5
[M]-	206.14836	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe