CID 23005418

199659-23-9

Structural Information

Molecular Formula

C₄H₄BClO₂S

SMILES

B(C1=CSC(=C1)Cl)(O)O

InChI

InChI=1S/C4H4BClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2,7-8H

InChIKey

DKYYLYWTTBGVKE-UHFFFAOYSA-N

Compound name

(5-chlorothiophen-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 161.97136 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]+	162.97864	127.9
[M+Na]+	184.96058	138.7
[M+NH4]+	180.00518	136.9
[M+K]+	200.93452	133.7
[M-H]-	160.96408	128.4
[M+Na-2H]-	182.94603	132.1
[M]+	161.97081	130.1
[M]-	161.97191	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe