CID 117737

Isopropylsulphamoyl chloride

Structural Information

Molecular Formula

C₃H₈ClNO₂S

SMILES

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

InChI

InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3

InChIKey

AGRDPCWQGGNEQL-UHFFFAOYSA-N

Compound name

N-propan-2-ylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 255
Patents: 156.99643 Da
Monoisotopic Mass: 0.9
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]+	158.00371	126.5
[M+Na]+	179.98565	135.2
[M-H]-	155.98915	127.7
[M+NH4]+	175.03025	148.5
[M+K]+	195.95959	132.9
[M+H-H2O]+	139.99369	123.3
[M+HCOO]-	201.99463	140.5
[M+CH3COO]-	216.01028	174.0
[M+Na-2H]-	177.97110	130.9
[M]+	156.99588	129.8
[M]-	156.99698	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe