CID 59406191

5-bromo-2-methylthiophene-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₄BrClO₂S₂

SMILES

CC1=C(C=C(S1)Br)S(=O)(=O)Cl

InChI

InChI=1S/C5H4BrClO2S2/c1-3-4(11(7,8)9)2-5(6)10-3/h2H,1H3

InChIKey

HKHREWTUTATPPJ-UHFFFAOYSA-N

Compound name

5-bromo-2-methylthiophene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 273.85245 Da
Monoisotopic Mass: 3.1
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]+	274.85973	133.0
[M+Na]+	296.84167	135.6
[M+NH4]+	291.88627	138.5
[M+K]+	312.81561	135.0
[M-H]-	272.84517	132.6
[M+Na-2H]-	294.82712	135.0
[M]+	273.85190	133.1
[M]-	273.85300	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe