CID 10035328

3-chloro-n,n-dimethylpropane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₂ClNO₂S

SMILES

CN(C)S(=O)(=O)CCCCl

InChI

InChI=1S/C5H12ClNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3

InChIKey

NCZGIOUJVDTSNN-UHFFFAOYSA-N

Compound name

3-chloro-N,N-dimethylpropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 185.02773 Da
Monoisotopic Mass: 0.5
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]+	186.03501	138.7
[M+Na]+	208.01695	148.1
[M+NH4]+	203.06155	146.4
[M+K]+	223.99089	141.5
[M-H]-	184.02045	137.8
[M+Na-2H]-	206.00240	141.6
[M]+	185.02718	140.3
[M]-	185.02828	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe