CID 367808

Tris(acetylthio)methane

Structural Information

Molecular Formula
C7H10O3S3
SMILES
CC(=O)SC(SC(=O)C)SC(=O)C
InChI
InChI=1S/C7H10O3S3/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3
InChIKey
SRUXVGKEZVXLRV-UHFFFAOYSA-N
Compound name
S-[bis(acetylsulfanyl)methyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9792 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98648 148.7
[M+Na]+ 260.96842 153.8
[M-H]- 236.97192 147.6
[M+NH4]+ 256.01302 165.7
[M+K]+ 276.94236 149.6
[M+H-H2O]+ 220.97646 142.7
[M+HCOO]- 282.97740 151.1
[M+CH3COO]- 296.99305 189.2
[M+Na-2H]- 258.95387 144.6
[M]+ 237.97865 151.4
[M]- 237.97975 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.