CID 44119169

913836-08-5

Structural Information

Molecular Formula

C₆H₇BClNO₂

SMILES

B(C1=CN=C(C=C1C)Cl)(O)O

InChI

InChI=1S/C6H7BClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3,10-11H,1H3

InChIKey

HMDMMWUUIMJRAQ-UHFFFAOYSA-N

Compound name

(6-chloro-4-methylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 171.02583 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]+	172.03311	130.3
[M+Na]+	194.01505	143.7
[M+NH4]+	189.05965	138.3
[M+K]+	209.98899	138.4
[M-H]-	170.01855	130.8
[M+Na-2H]-	192.00050	136.4
[M]+	171.02528	132.5
[M]-	171.02638	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe