CID 10241253

3-chloro-n-methylpropane-1-sulfonamide

Structural Information

Molecular Formula

C₄H₁₀ClNO₂S

SMILES

CNS(=O)(=O)CCCCl

InChI

InChI=1S/C4H10ClNO2S/c1-6-9(7,8)4-2-3-5/h6H,2-4H2,1H3

InChIKey

HNFPTYFTHBATEF-UHFFFAOYSA-N

Compound name

3-chloro-N-methylpropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 171.01208 Da
Monoisotopic Mass: 0.3
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]+	172.019356	131.3
[M+Na]+	194.001298	139.8
[M-H]-	170.004804	132.2
[M+NH4]+	189.045903	152.8
[M+K]+	209.975238	136.8
[M+H-H2O]+	154.009340	127.8
[M+HCOO]-	216.010281	146.0
[M+CH3COO]-	230.025931	176.2
[M+Na-2H]-	191.986746	136.3
[M]+	171.01153142	135.6
[M]-	171.01262858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe