CID 3053257

2-methyl-3-chloro-4-hydroxysulfolane

Structural Information

Molecular Formula

C₅H₉ClO₃S

SMILES

CC1C(C(CS1(=O)=O)O)Cl

InChI

InChI=1S/C5H9ClO3S/c1-3-5(6)4(7)2-10(3,8)9/h3-5,7H,2H2,1H3

InChIKey

CHJTWKDEJVJHTR-UHFFFAOYSA-N

Compound name

4-chloro-5-methyl-1,1-dioxothiolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.9961 Da
Monoisotopic Mass: -0.2
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]+	185.00338	133.9
[M+Na]+	206.98532	144.2
[M+NH4]+	202.02992	143.6
[M+K]+	222.95926	137.4
[M-H]-	182.98882	133.8
[M+Na-2H]-	204.97077	137.9
[M]+	183.99555	136.0
[M]-	183.99665	136.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.