CID 90680

Trichloromethanesulphinyl chloride

Structural Information

Molecular Formula

SMILES

C(S(=O)Cl)(Cl)(Cl)Cl

InChI

InChI=1S/CCl4OS/c2-1(3,4)7(5)6

InChIKey

XUDFWSSAMJVVCP-UHFFFAOYSA-N

Compound name

trichloromethanesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 199.84239 Da
Monoisotopic Mass: 2.3
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]+	200.84967	129.3
[M+Na]+	222.83161	138.6
[M-H]-	198.83511	128.3
[M+NH4]+	217.87621	149.4
[M+K]+	238.80555	134.5
[M+H-H2O]+	182.83965	129.3
[M+HCOO]-	244.84059	126.9
[M+CH3COO]-	258.85624	179.4
[M+Na-2H]-	220.81706	131.3
[M]+	199.84184	130.8
[M]-	199.84294	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe