CID 81031

Amidosulfenyl chloride, n,n-dibutyl-

Structural Information

Molecular Formula

C₈H₁₈ClNS

SMILES

CCCCN(CCCC)SCl

InChI

InChI=1S/C8H18ClNS/c1-3-5-7-10(11-9)8-6-4-2/h3-8H2,1-2H3

InChIKey

BKFZQRHTZYGWPW-UHFFFAOYSA-N

Compound name

(dibutylamino) thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 195.08485 Da
Monoisotopic Mass: 4.0
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]+	196.09213	143.2
[M+Na]+	218.07407	149.5
[M-H]-	194.07757	144.6
[M+NH4]+	213.11867	164.5
[M+K]+	234.04801	146.9
[M+H-H2O]+	178.08211	138.4
[M+HCOO]-	240.08305	157.6
[M+CH3COO]-	254.09870	189.3
[M+Na-2H]-	216.05952	144.7
[M]+	195.08430	149.3
[M]-	195.08540	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe