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

5
Annotation Hits: 38
References: 25745
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	111.5
[M+Na]+	116.98031	120.0
[M-H]-	92.983814	112.5
[M+NH4]+	112.02491	135.6
[M+K]+	132.95425	118.8
[M+H-H2O]+	76.988350	107.3
[M+HCOO]-	138.98929	123.8
[M+CH3COO]-	153.00494	165.4
[M+Na-2H]-	114.96576	113.0
[M]+	93.990541	113.3
[M]-	93.991639	113.3

Literature stripe

literature stripe

Patent stripe

patents stripe