CID 2778695

175202-28-5

Structural Information

Molecular Formula

C₈H₈Cl₂O₃S₂

SMILES

CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)Cl

InChI

InChI=1S/C8H8Cl2O3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3

InChIKey

IECIGDCEDBXRTI-UHFFFAOYSA-N

Compound name

3-chloro-4-propan-2-ylsulfonylthiophene-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 285.9292 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]+	286.93648	164.1
[M+Na]+	308.91842	174.0
[M+NH4]+	303.96302	171.5
[M+K]+	324.89236	167.1
[M-H]-	284.92192	163.4
[M+Na-2H]-	306.90387	165.8
[M]+	285.92865	166.6
[M]-	285.92975	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe