CID 33645

Ethane-1,1-dithiol

Structural Information

Molecular Formula

C₂H₆S₂

SMILES

CC(S)S

InChI

InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3

InChIKey

DHBXNPKRAUYBTH-UHFFFAOYSA-N

Compound name

ethane-1,1-dithiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 38
References: 24174
Patents: 93.99109 Da
Monoisotopic Mass: 1.3
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]+	94.998366	114.9
[M+Na]+	116.98031	125.4
[M+NH4]+	112.02491	125.2
[M+K]+	132.95425	116.5
[M-H]-	92.983814	116.0
[M+Na-2H]-	114.96576	118.3
[M]+	93.990541	117.6
[M]-	93.991639	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe