CID 45045310

113019-96-8

Structural Information

Molecular Formula

C₁₀H₁₂S₈

SMILES

CSC1C2C(C(C3C1SC(=S)S3)SC)SC(=S)S2

InChI

InChI=1S/C10H12S8/c1-13-3-5-7(17-9(11)15-5)4(14-2)8-6(3)16-10(12)18-8/h3-8H,1-2H3

InChIKey

YKHBAVGAVUTSFC-UHFFFAOYSA-N

Compound name

2,8-bis(methylsulfanyl)-4,6,10,12-tetrathiatricyclo[7.3.0.03,7]dodecane-5,11-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 387.87048 Da
Monoisotopic Mass: 5.2
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]+	388.877756	224.5
[M+Na]+	410.859698	231.9
[M-H]-	386.863204	218.4
[M+NH4]+	405.904303	234.8
[M+K]+	426.833638	215.3
[M+H-H2O]+	370.867740	222.0
[M+HCOO]-	432.868681	201.9
[M+CH3COO]-	446.884331	223.4
[M+Na-2H]-	408.845146	225.6
[M]+	387.86993142	205.5
[M]-	387.87102858	205.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.