CID 44558118

871940-31-7

Structural Information

Molecular Formula

C₇H₄BF₂NO₂

SMILES

B(C1=C(C(=C(C=C1)F)C#N)F)(O)O

InChI

InChI=1S/C7H4BF2NO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H

InChIKey

VQEKFJVJHSVFTM-UHFFFAOYSA-N

Compound name

(3-cyano-2,4-difluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 183.03032 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]+	184.03760	136.5
[M+Na]+	206.01954	147.0
[M+NH4]+	201.06414	139.4
[M+K]+	221.99348	139.1
[M-H]-	182.02304	127.2
[M+Na-2H]-	204.00499	138.1
[M]+	183.02977	134.3
[M]-	183.03087	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe