CID 14503

1192-52-5

Structural Information

Molecular Formula

SMILES

C1(=C(SSC1=O)Cl)Cl

InChI

InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6

InChIKey

QGSRKGWCQSATCL-UHFFFAOYSA-N

Compound name

4,5-dichlorodithiol-3-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 1257
Patents: 185.87677 Da
Monoisotopic Mass: 2.2
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]+	186.88405	128.3
[M+Na]+	208.86599	141.2
[M-H]-	184.86949	133.2
[M+NH4]+	203.91059	152.3
[M+K]+	224.83993	136.0
[M+H-H2O]+	168.87403	126.5
[M+HCOO]-	230.87497	135.2
[M+CH3COO]-	244.89062	174.7
[M+Na-2H]-	206.85144	128.6
[M]+	185.87622	133.5
[M]-	185.87732	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe