CID 44119594

6-chloro-1-methylindole-2-boronic acid

Structural Information

Molecular Formula

C₉H₉BClNO₂

SMILES

B(C1=CC2=C(N1C)C=C(C=C2)Cl)(O)O

InChI

InChI=1S/C9H9BClNO2/c1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14/h2-5,13-14H,1H3

InChIKey

HAKQDXBWDPGHDD-UHFFFAOYSA-N

Compound name

(6-chloro-1-methylindol-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 209.04149 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]+	210.04877	139.3
[M+Na]+	232.03071	153.4
[M+NH4]+	227.07531	148.0
[M+K]+	248.00465	149.1
[M-H]-	208.03421	140.2
[M+Na-2H]-	230.01616	144.9
[M]+	209.04094	141.8
[M]-	209.04204	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe