CID 3090749

103639-71-0

Structural Information

Molecular Formula

C₅H₈Cl₂O₂S

SMILES

CC1(CS(=O)(=O)CC1Cl)Cl

InChI

InChI=1S/C5H8Cl2O2S/c1-5(7)3-10(8,9)2-4(5)6/h4H,2-3H2,1H3

InChIKey

KFEUDNGJWWGRTJ-UHFFFAOYSA-N

Compound name

3,4-dichloro-3-methylthiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.9622 Da
Monoisotopic Mass: 0.9
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]+	202.96948	130.8
[M+Na]+	224.95142	142.5
[M-H]-	200.95492	135.1
[M+NH4]+	219.99602	157.6
[M+K]+	240.92536	138.3
[M+H-H2O]+	184.95946	130.5
[M+HCOO]-	246.96040	140.4
[M+CH3COO]-	260.97605	176.8
[M+Na-2H]-	222.93687	134.3
[M]+	201.96165	134.7
[M]-	201.96275	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe