CID 10192582

1256355-32-4

Structural Information

Molecular Formula

C₆H₇BFNO₂

SMILES

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

InChI

InChI=1S/C6H7BFNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H,9H2

InChIKey

GNHWAOAYJATKIL-UHFFFAOYSA-N

Compound name

(4-amino-3-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 155.05539 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]+	156.06267	128.1
[M+Na]+	178.04461	138.3
[M+NH4]+	173.08921	135.2
[M+K]+	194.01855	134.3
[M-H]-	154.04811	127.9
[M+Na-2H]-	176.03006	132.9
[M]+	155.05484	129.1
[M]-	155.05594	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe