CID 72221128

2121512-77-2

Structural Information

Molecular Formula

C₁₃H₁₅BClF₃O₃

SMILES

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

InChI

InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)9-7-8(5-6-10(9)15)19-13(16,17)18/h5-7H,1-4H3

InChIKey

GOCUJQHERNLIPA-UHFFFAOYSA-N

Compound name

2-[2-chloro-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 322.0755 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]+	323.082776	160.8
[M+Na]+	345.064718	172.5
[M-H]-	321.068224	166.0
[M+NH4]+	340.109323	180.0
[M+K]+	361.038658	170.7
[M+H-H2O]+	305.072760	155.3
[M+HCOO]-	367.073701	172.8
[M+CH3COO]-	381.089351	203.8
[M+Na-2H]-	343.050166	165.7
[M]+	322.07495142	163.9
[M]-	322.07604858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe