CID 22240146

627525-83-1

Structural Information

Molecular Formula

C₁₂H₁₅BClFO₂

SMILES

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

InChI

InChI=1S/C12H15BClFO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,1-4H3

InChIKey

XJZYKURDYQAGGN-UHFFFAOYSA-N

Compound name

2-(4-chloro-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 256.08377 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]+	257.091046	148.2
[M+Na]+	279.072988	159.8
[M-H]-	255.076494	156.0
[M+NH4]+	274.117593	170.1
[M+K]+	295.046928	157.9
[M+H-H2O]+	239.081030	144.1
[M+HCOO]-	301.081971	163.9
[M+CH3COO]-	315.097621	193.5
[M+Na-2H]-	277.058436	153.3
[M]+	256.08322142	152.1
[M]-	256.08431858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe