CID 14219657

118646-39-2

Structural Information

Molecular Formula

C₄H₁₀ClNO₂S

SMILES

CN(C)CCS(=O)(=O)Cl

InChI

InChI=1S/C4H10ClNO2S/c1-6(2)3-4-9(5,7)8/h3-4H2,1-2H3

InChIKey

GZIHJZQDTQEGRU-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 171.01208 Da
Monoisotopic Mass: 0.4
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	130.6
[M+Na]+	194.001298	139.4
[M-H]-	170.004804	133.1
[M+NH4]+	189.045903	152.9
[M+K]+	209.975238	137.8
[M+H-H2O]+	154.009340	127.0
[M+HCOO]-	216.010281	145.8
[M+CH3COO]-	230.025931	179.7
[M+Na-2H]-	191.986746	135.0
[M]+	171.01153142	136.3
[M]-	171.01262858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe