CID 12682606

N-tert-butylsulfamoyl chloride

Structural Information

Molecular Formula

C₄H₁₀ClNO₂S

SMILES

CC(C)(C)NS(=O)(=O)Cl

InChI

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

InChIKey

WGBSTIRRHNSMRN-UHFFFAOYSA-N

Compound name

N-tert-butylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 364
Patents: 171.01208 Da
Monoisotopic Mass: 1.1
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]+	172.019356	132.0
[M+Na]+	194.001298	140.9
[M-H]-	170.004804	133.2
[M+NH4]+	189.045903	153.6
[M+K]+	209.975238	138.3
[M+H-H2O]+	154.009340	129.0
[M+HCOO]-	216.010281	145.1
[M+CH3COO]-	230.025931	175.9
[M+Na-2H]-	191.986746	137.7
[M]+	171.01153142	135.6
[M]-	171.01262858	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe