CID 17390281

2-bromo-5-(methylsulfonyl)thiophene

Structural Information

Molecular Formula

C₅H₅BrO₂S₂

SMILES

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

InChI

InChI=1S/C5H5BrO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3

InChIKey

UXQCEWGVFVQJAP-UHFFFAOYSA-N

Compound name

2-bromo-5-methylsulfonylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 239.89143 Da
Monoisotopic Mass: 2.2
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]+	240.89871	125.5
[M+Na]+	262.88065	127.2
[M+NH4]+	257.92525	130.9
[M+K]+	278.85459	127.4
[M-H]-	238.88415	125.1
[M+Na-2H]-	260.86610	127.8
[M]+	239.89088	125.2
[M]-	239.89198	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe