CID 44119809

957060-88-7

Structural Information

Molecular Formula

C₆H₇BClNO₃

SMILES

B(C1=C(C(=NC=C1)OC)Cl)(O)O

InChI

InChI=1S/C6H7BClNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3,10-11H,1H3

InChIKey

YQNAXOGPSUVHNU-UHFFFAOYSA-N

Compound name

(3-chloro-2-methoxypyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 205
Patents: 187.02075 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]+	188.02803	133.2
[M+Na]+	210.00997	146.0
[M+NH4]+	205.05457	140.6
[M+K]+	225.98391	141.4
[M-H]-	186.01347	133.1
[M+Na-2H]-	207.99542	138.8
[M]+	187.02020	135.1
[M]-	187.02130	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe