CID 12197

Diethyl sulfite

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

CCOS(=O)OCC

InChI

InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3

InChIKey

NVJBFARDFTXOTO-UHFFFAOYSA-N

Compound name

diethyl sulfite

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3545
Patents: 138.03506 Da
Monoisotopic Mass: 0.9
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]+	139.042336	124.8
[M+Na]+	161.024278	132.7
[M-H]-	137.027784	125.6
[M+NH4]+	156.068883	147.1
[M+K]+	176.998218	133.1
[M+H-H2O]+	121.032320	120.1
[M+HCOO]-	183.033261	143.6
[M+CH3COO]-	197.048911	171.0
[M+Na-2H]-	159.009726	128.2
[M]+	138.03451142	130.4
[M]-	138.03560858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe