CID 44754745

1072952-06-7

Structural Information

Molecular Formula

C₆H₄BF₂NO₄

SMILES

B(C1=CC(=C(C(=C1)F)F)[N+](=O)[O-])(O)O

InChI

InChI=1S/C6H4BF2NO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2,11-12H

InChIKey

NUMAMIBIFPKICQ-UHFFFAOYSA-N

Compound name

(3,4-difluoro-5-nitrophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.02014 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]+	204.02742	132.6
[M+Na]+	226.00936	143.0
[M+NH4]+	221.05396	138.1
[M+K]+	241.98330	142.3
[M-H]-	202.01286	131.1
[M+Na-2H]-	223.99481	136.1
[M]+	203.01959	133.1
[M]-	203.02069	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe