CID 4683196

Benzo[d]thiazol-6-ylboronic acid

Structural Information

Molecular Formula

C₇H₆BNO₂S

SMILES

B(C1=CC2=C(C=C1)N=CS2)(O)O

InChI

InChI=1S/C7H6BNO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H

InChIKey

HGXFPSLIIZOVMB-UHFFFAOYSA-N

Compound name

1,3-benzothiazol-6-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 179.02122 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]+	180.02850	132.3
[M+Na]+	202.01044	144.6
[M+NH4]+	197.05504	141.3
[M+K]+	217.98438	139.2
[M-H]-	178.01394	133.3
[M+Na-2H]-	199.99589	137.8
[M]+	179.02067	134.7
[M]-	179.02177	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe