CID 125514604

2089257-44-1

Structural Information

Molecular Formula

C₄H₈ClNO₂S

SMILES

C1CC1(CCl)S(=O)(=O)N

InChI

InChI=1S/C4H8ClNO2S/c5-3-4(1-2-4)9(6,7)8/h1-3H2,(H2,6,7,8)

InChIKey

LMIZEKCVPSFSDJ-UHFFFAOYSA-N

Compound name

1-(chloromethyl)cyclopropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.99643 Da
Monoisotopic Mass: -0.1
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]+	170.003706	125.8
[M+Na]+	191.985648	136.2
[M-H]-	167.989154	130.3
[M+NH4]+	187.030253	143.9
[M+K]+	207.959588	132.8
[M+H-H2O]+	151.993690	122.7
[M+HCOO]-	213.994631	140.1
[M+CH3COO]-	228.010281	177.1
[M+Na-2H]-	189.971096	132.1
[M]+	168.99588142	130.7
[M]-	168.99697858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.