CID 15677406

147000-89-3

Structural Information

Molecular Formula

C₅H₁₀ClNO₄S

SMILES

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

InChI

InChI=1S/C5H10ClNO4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8)

InChIKey

KAJZZLBZXOBEMD-UHFFFAOYSA-N

Compound name

tert-butyl N-chlorosulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1042
Patents: 215.0019 Da
Monoisotopic Mass: 1.3
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]+	216.00918	140.6
[M+Na]+	237.99112	149.0
[M-H]-	213.99462	141.8
[M+NH4]+	233.03572	160.4
[M+K]+	253.96506	147.0
[M+H-H2O]+	197.99916	137.4
[M+HCOO]-	260.00010	153.2
[M+CH3COO]-	274.01575	181.5
[M+Na-2H]-	235.97657	145.5
[M]+	215.00135	146.1
[M]-	215.00245	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe