CID 2735775

175201-87-3

Structural Information

Molecular Formula

C₆H₄Cl₂O₃S₂

SMILES

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)Cl

InChI

InChI=1S/C6H4Cl2O3S2/c1-13(10,11)3-2-12-5(4(3)7)6(8)9/h2H,1H3

InChIKey

XXPNDZHWWJGGSX-UHFFFAOYSA-N

Compound name

3-chloro-4-methylsulfonylthiophene-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 257.8979 Da
Monoisotopic Mass: 2.3
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]+	258.90518	148.6
[M+Na]+	280.88712	160.1
[M-H]-	256.89062	153.4
[M+NH4]+	275.93172	169.4
[M+K]+	296.86106	154.6
[M+H-H2O]+	240.89516	146.5
[M+HCOO]-	302.89610	152.9
[M+CH3COO]-	316.91175	186.5
[M+Na-2H]-	278.87257	147.9
[M]+	257.89735	155.3
[M]-	257.89845	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe