CID 66926

Dibutyl xanthogen disulfide

Structural Information

Molecular Formula

C₁₀H₁₈O₂S₄

SMILES

CCCCOC(=S)SSC(=S)OCCCC

InChI

InChI=1S/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3

InChIKey

QCAZHHXMIVSLMW-UHFFFAOYSA-N

Compound name

O-butyl (butoxycarbothioyldisulfanyl)methanethioate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 549
Patents: 298.01895 Da
Monoisotopic Mass: 5.0
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]+	299.026226	164.6
[M+Na]+	321.008168	168.6
[M-H]-	297.011674	161.7
[M+NH4]+	316.052773	178.9
[M+K]+	336.982108	160.3
[M+H-H2O]+	281.016210	157.6
[M+HCOO]-	343.017151	161.6
[M+CH3COO]-	357.032801	199.8
[M+Na-2H]-	318.993616	160.5
[M]+	298.01840142	165.9
[M]-	298.01949858	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe