CID 5470146

Nsc698127

Structural Information

Molecular Formula
C8H8S8
SMILES
C\1=C\SS/C=C\SS/C=C\SS/C=C\SS1
InChI
InChI=1S/C8H8S8/c1-2-10-12-5-6-14-16-8-7-15-13-4-3-11-9-1/h1-8H/b2-1-,4-3-,6-5-,8-7-
InChIKey
ZOQNXVFZKNWMJV-JCJVRDIZSA-N
Compound name
(3Z,7Z,11Z,15Z)-1,2,5,6,9,10,13,14-octathiacyclohexadeca-3,7,11,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.83917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.84645 219.0
[M+Na]+ 382.82839 225.4
[M-H]- 358.83189 212.0
[M+NH4]+ 377.87299 223.7
[M+K]+ 398.80233 206.9
[M+H-H2O]+ 342.83643 214.7
[M+HCOO]- 404.83737 198.9
[M+CH3COO]- 418.85302 216.9
[M+Na-2H]- 380.81384 220.3
[M]+ 359.83862 193.0
[M]- 359.83972 193.0
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.