CID 118989868

1459778-94-9

Structural Information

Molecular Formula

C₇H₄BF₅O₂

SMILES

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

InChI

InChI=1S/C7H4BF5O2/c9-4-1-3(8(14)15)2-5(10)6(4)7(11,12)13/h1-2,14-15H

InChIKey

NYRAVQWKXFRDNS-UHFFFAOYSA-N

Compound name

[3,5-difluoro-4-(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 226.02245 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]+	227.02973	155.9
[M+Na]+	249.01167	162.0
[M+NH4]+	244.05627	158.7
[M+K]+	264.98561	158.6
[M-H]-	225.01517	149.5
[M+Na-2H]-	246.99712	156.5
[M]+	226.02190	154.5
[M]-	226.02300	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe