CID 134449261

Chloromethanesulfonylcyclopropane

Structural Information

Molecular Formula

C₄H₇ClO₂S

SMILES

C1CC1S(=O)(=O)CCl

InChI

InChI=1S/C4H7ClO2S/c5-3-8(6,7)4-1-2-4/h4H,1-3H2

InChIKey

UDOLJXNFPUKLSZ-UHFFFAOYSA-N

Compound name

chloromethylsulfonylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.98553 Da
Monoisotopic Mass: 0.8
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]+	154.99281	123.2
[M+Na]+	176.97475	133.9
[M-H]-	152.97825	128.3
[M+NH4]+	172.01935	140.7
[M+K]+	192.94869	130.5
[M+H-H2O]+	136.98279	118.8
[M+HCOO]-	198.98373	137.5
[M+CH3COO]-	212.99938	173.7
[M+Na-2H]-	174.96020	128.5
[M]+	153.98498	129.2
[M]-	153.98608	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe