CID 5468853

Nsc677907

Structural Information

Molecular Formula
C8H8O2S5
SMILES
CSC(=O)/C=C/1\SS/C(=C\C(=O)SC)/S1
InChI
InChI=1S/C8H8O2S5/c1-11-5(9)3-7-13-8(15-14-7)4-6(10)12-2/h3-4H,1-2H3/b7-3-,8-4-
InChIKey
AKKALYDXRQVGOK-VHOZIDCHSA-N
Compound name
S-methyl (2Z)-2-[(5Z)-5-(2-methylsulfanyl-2-oxoethylidene)-1,2,4-trithiolan-3-ylidene]ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.91278 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.92006 172.3
[M+Na]+ 318.90200 178.5
[M-H]- 294.90550 171.4
[M+NH4]+ 313.94660 187.0
[M+K]+ 334.87594 167.7
[M+H-H2O]+ 278.91004 166.8
[M+HCOO]- 340.91098 164.4
[M+CH3COO]- 354.92663 197.9
[M+Na-2H]- 316.88745 168.1
[M]+ 295.91223 166.0
[M]- 295.91333 166.0
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.