CID 3815528

N,n-dibutylsulfamoyl chloride

Structural Information

Molecular Formula

C₈H₁₈ClNO₂S

SMILES

CCCCN(CCCC)S(=O)(=O)Cl

InChI

InChI=1S/C8H18ClNO2S/c1-3-5-7-10(8-6-4-2)13(9,11)12/h3-8H2,1-2H3

InChIKey

VMJGICXHKZERPD-UHFFFAOYSA-N

Compound name

N,N-dibutylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 227.07468 Da
Monoisotopic Mass: 2.8
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]+	228.08196	148.8
[M+Na]+	250.06390	155.9
[M-H]-	226.06740	150.6
[M+NH4]+	245.10850	168.8
[M+K]+	266.03784	153.3
[M+H-H2O]+	210.07194	144.4
[M+HCOO]-	272.07288	162.7
[M+CH3COO]-	286.08853	191.7
[M+Na-2H]-	248.04935	151.3
[M]+	227.07413	156.0
[M]-	227.07523	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe