CID 24901779

937595-70-5

Structural Information

Molecular Formula

C₅H₄BClFNO₂

SMILES

B(C1=CC(=CN=C1F)Cl)(O)O

InChI

InChI=1S/C5H4BClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H

InChIKey

ZUDXVHDVUTUTFH-UHFFFAOYSA-N

Compound name

(5-chloro-2-fluoropyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 175.00076 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]+	176.00804	128.0
[M+Na]+	197.98998	140.4
[M+NH4]+	193.03458	135.3
[M+K]+	213.96392	135.6
[M-H]-	173.99348	126.9
[M+Na-2H]-	195.97543	133.6
[M]+	175.00021	129.5
[M]-	175.00131	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe