CID 16770019

N-butyl-n-methylsulfamoyl chloride

Structural Information

Molecular Formula

C₅H₁₂ClNO₂S

SMILES

CCCCN(C)S(=O)(=O)Cl

InChI

InChI=1S/C5H12ClNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3

InChIKey

RSZHWOKYCOLDNK-UHFFFAOYSA-N

Compound name

N-butyl-N-methylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 185.02773 Da
Monoisotopic Mass: 1.5
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]+	186.03501	135.2
[M+Na]+	208.01695	143.5
[M-H]-	184.02045	137.5
[M+NH4]+	203.06155	156.9
[M+K]+	223.99089	141.7
[M+H-H2O]+	168.02499	131.3
[M+HCOO]-	230.02593	150.1
[M+CH3COO]-	244.04158	182.7
[M+Na-2H]-	206.00240	139.1
[M]+	185.02718	141.2
[M]-	185.02828	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe