CID 44717647

913836-09-6

Structural Information

Molecular Formula

C₁₀H₇BBrFO₂

SMILES

B(C1=C(C2=CC=CC=C2C(=C1)Br)F)(O)O

InChI

InChI=1S/C10H7BBrFO2/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,14-15H

InChIKey

MIBHKCPNOCVGJI-UHFFFAOYSA-N

Compound name

(4-bromo-1-fluoronaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.97064 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]+	268.97792	148.3
[M+Na]+	290.95986	152.0
[M+NH4]+	286.00446	153.0
[M+K]+	306.93380	152.0
[M-H]-	266.96336	147.8
[M+Na-2H]-	288.94531	150.8
[M]+	267.97009	147.5
[M]-	267.97119	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe