CID 24386

Thionyl chloride

Structural Information

Molecular Formula

SMILES

O=S(Cl)Cl

InChI

InChI=1S/Cl2OS/c1-4(2)3

InChIKey

FYSNRJHAOHDILO-UHFFFAOYSA-N

Compound name

thionyl dichloride

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 54
References: 40330
Patents: 117.90469 Da
Monoisotopic Mass: 1.5
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]+	118.91197	110.0
[M+Na]+	140.89391	120.5
[M-H]-	116.89741	111.1
[M+NH4]+	135.93851	134.2
[M+K]+	156.86785	117.7
[M+H-H2O]+	100.90195	108.6
[M+HCOO]-	162.90289	120.1
[M+CH3COO]-	176.91854	164.2
[M+Na-2H]-	138.87936	114.4
[M]+	117.90414	113.4
[M]-	117.90524	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe