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]+	170.00371	125.8
[M+Na]+	191.98565	136.2
[M-H]-	167.98915	130.3
[M+NH4]+	187.03025	143.9
[M+K]+	207.95959	132.8
[M+H-H2O]+	151.99369	122.7
[M+HCOO]-	213.99463	140.1
[M+CH3COO]-	228.01028	177.1
[M+Na-2H]-	189.97110	132.1
[M]+	168.99588	130.7
[M]-	168.99698	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.