CID 2734624

269409-70-3

Structural Information

Molecular Formula

C₁₂H₁₇BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3

InChIKey

BICZJRAGTCRORZ-UHFFFAOYSA-N

Compound name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1976
Patents: 220.12708 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]+	221.13436	144.7
[M+Na]+	243.11630	157.3
[M+NH4]+	238.16090	155.9
[M+K]+	259.09024	150.5
[M-H]-	219.11980	150.3
[M+Na-2H]-	241.10175	152.9
[M]+	220.12653	148.5
[M]-	220.12763	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe