CID 57747288

(2-cyanothiophen-3-yl)boronic acid

Structural Information

Molecular Formula

C₅H₄BNO₂S

SMILES

B(C1=C(SC=C1)C#N)(O)O

InChI

InChI=1S/C5H4BNO2S/c7-3-5-4(6(8)9)1-2-10-5/h1-2,8-9H

InChIKey

RFWCHPVGCQCEQB-UHFFFAOYSA-N

Compound name

(2-cyanothiophen-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 153.00558 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]+	154.01286	124.5
[M+Na]+	175.99480	133.9
[M+NH4]+	171.03940	129.3
[M+K]+	191.96874	126.9
[M-H]-	151.99830	117.6
[M+Na-2H]-	173.98025	126.4
[M]+	153.00503	123.2
[M]-	153.00613	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe