CID 46739772

1217501-16-0

Structural Information

Molecular Formula

C₅H₆BBrO₂S

SMILES

B(C1=CC(=C(S1)Br)C)(O)O

InChI

InChI=1S/C5H6BBrO2S/c1-3-2-4(6(8)9)10-5(3)7/h2,8-9H,1H3

InChIKey

UOYBEXPZKLEGAF-UHFFFAOYSA-N

Compound name

(5-bromo-4-methylthiophen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.9365 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]+	220.94378	130.8
[M+Na]+	242.92572	132.0
[M+NH4]+	237.97032	135.7
[M+K]+	258.89966	133.8
[M-H]-	218.92922	129.9
[M+Na-2H]-	240.91117	132.0
[M]+	219.93595	129.7
[M]-	219.93705	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.