CID 56987707

1444836-85-4

Structural Information

Molecular Formula

C₅H₄Cl₂O₂S₂

SMILES

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

InChI

InChI=1S/C5H4Cl2O2S2/c1-3-4(11(7,8)9)2-5(6)10-3/h2H,1H3

InChIKey

DHBNCOJCAHYKBT-UHFFFAOYSA-N

Compound name

5-chloro-2-methylthiophene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 229.90298 Da
Monoisotopic Mass: 3.0
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]+	230.910256	142.5
[M+Na]+	252.892198	154.8
[M-H]-	228.895704	147.4
[M+NH4]+	247.936803	164.7
[M+K]+	268.866138	149.2
[M+H-H2O]+	212.900240	140.5
[M+HCOO]-	274.901181	147.7
[M+CH3COO]-	288.916831	181.8
[M+Na-2H]-	250.877646	142.7
[M]+	229.90243142	148.6
[M]-	229.90352858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe