CID 44754837

1043869-98-2

Structural Information

Molecular Formula

C₆H₇BFNO₃

SMILES

B(C1=CC(=NC=C1F)OC)(O)O

InChI

InChI=1S/C6H7BFNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3

InChIKey

VGPMZARHJYGFSE-UHFFFAOYSA-N

Compound name

(5-fluoro-2-methoxy-4-pyridinyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 171.05031 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]+	172.05759	129.8
[M+Na]+	194.03953	138.9
[M-H]-	170.04303	128.8
[M+NH4]+	189.08413	147.9
[M+K]+	210.01347	137.2
[M+H-H2O]+	154.04757	123.2
[M+HCOO]-	216.04851	149.5
[M+CH3COO]-	230.06416	174.1
[M+Na-2H]-	192.02498	135.2
[M]+	171.04976	129.1
[M]-	171.05086	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe