CID 21983796

145980-83-2

Structural Information

Molecular Formula

C₅H₃Cl₃O₂S₂

SMILES

CC1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl

InChI

InChI=1S/C5H3Cl3O2S2/c1-2-3(12(8,9)10)5(7)11-4(2)6/h1H3

InChIKey

PFSFHYOUCDSGDM-UHFFFAOYSA-N

Compound name

2,5-dichloro-4-methylthiophene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 263.864 Da
Monoisotopic Mass: 3.9
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]+	264.87128	149.0
[M+Na]+	286.85322	161.3
[M-H]-	262.85672	153.2
[M+NH4]+	281.89782	169.8
[M+K]+	302.82716	155.3
[M+H-H2O]+	246.86126	147.9
[M+HCOO]-	308.86220	148.9
[M+CH3COO]-	322.87785	188.3
[M+Na-2H]-	284.83867	147.7
[M]+	263.86345	154.8
[M]-	263.86455	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe