CID 137944052

2287345-12-2

Structural Information

Molecular Formula

C₅H₈Cl₂O₂S

SMILES

C1C(CC1Cl)CS(=O)(=O)Cl

InChI

InChI=1S/C5H8Cl2O2S/c6-5-1-4(2-5)3-10(7,8)9/h4-5H,1-3H2

InChIKey

HJFPJDIVAWIWCD-UHFFFAOYSA-N

Compound name

(3-chlorocyclobutyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.9622 Da
Monoisotopic Mass: 1.8
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	124.9
[M+Na]+	224.95142	133.1
[M-H]-	200.95492	128.3
[M+NH4]+	219.99602	139.6
[M+K]+	240.92536	131.7
[M+H-H2O]+	184.95946	117.3
[M+HCOO]-	246.96040	132.2
[M+CH3COO]-	260.97605	181.9
[M+Na-2H]-	222.93687	128.4
[M]+	201.96165	137.1
[M]-	201.96275	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.