CID 2782671

176976-42-4

Structural Information

Molecular Formula

C₇H₅BClF₃O₂

SMILES

B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O

InChI

InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H

InChIKey

XHKNQBNGLMOTDB-UHFFFAOYSA-N

Compound name

[4-chloro-3-(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 401
Patents: 224.00232 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]+	225.00960	142.9
[M+Na]+	246.99154	152.1
[M+NH4]+	242.03614	148.3
[M+K]+	262.96548	148.0
[M-H]-	222.99504	138.8
[M+Na-2H]-	244.97699	146.3
[M]+	224.00177	142.9
[M]-	224.00287	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe