CID 57374242

1151564-17-8

Structural Information

Molecular Formula

C₁₂H₁₆BClO₃

SMILES

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

InChI

InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(15)10(8)14/h5-7,15H,1-4H3

InChIKey

DUONOXUXQGHBPZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 254.0881 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]+	255.09538	149.3
[M+Na]+	277.07732	160.3
[M-H]-	253.08082	157.1
[M+NH4]+	272.12192	170.6
[M+K]+	293.05126	158.5
[M+H-H2O]+	237.08536	146.4
[M+HCOO]-	299.08630	164.8
[M+CH3COO]-	313.10195	190.5
[M+Na-2H]-	275.06277	154.7
[M]+	254.08755	154.0
[M]-	254.08865	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe