CID 69384

Dibutyl sulfite

Structural Information

Molecular Formula

C₈H₁₈O₃S

SMILES

CCCCOS(=O)OCCCC

InChI

InChI=1S/C8H18O3S/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3

InChIKey

FEYYOXFAQQJEIG-UHFFFAOYSA-N

Compound name

dibutyl sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 313
Patents: 194.09767 Da
Monoisotopic Mass: 2.7
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]+	195.10495	142.9
[M+Na]+	217.08689	149.1
[M-H]-	193.09039	142.9
[M+NH4]+	212.13149	162.9
[M+K]+	233.06083	148.4
[M+H-H2O]+	177.09493	137.4
[M+HCOO]-	239.09587	160.4
[M+CH3COO]-	253.11152	183.0
[M+Na-2H]-	215.07234	144.3
[M]+	194.09712	150.0
[M]-	194.09822	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe