CID 21838136

177735-28-3

Structural Information

Molecular Formula

C₄H₃BCl₂O₂S

SMILES

B(C1=C(SC(=C1)Cl)Cl)(O)O

InChI

InChI=1S/C4H3BCl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1,8-9H

InChIKey

UAAPRNJFCCPYBD-UHFFFAOYSA-N

Compound name

(2,5-dichlorothiophen-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 195.93239 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]+	196.93967	134.7
[M+Na]+	218.92161	146.3
[M+NH4]+	213.96621	143.7
[M+K]+	234.89555	140.7
[M-H]-	194.92511	135.1
[M+Na-2H]-	216.90706	138.6
[M]+	195.93184	137.3
[M]-	195.93294	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe