CID 143078

1,6-dithiacyclodeca-3,8-diyne

Structural Information

Molecular Formula
C8H8S2
SMILES
C1C#CCSCC#CCS1
InChI
InChI=1S/C8H8S2/c1-2-6-10-8-4-3-7-9-5-1/h5-8H2
InChIKey
OOODPCKCQPBXKZ-UHFFFAOYSA-N
Compound name
1,6-dithiacyclodeca-3,8-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

168.00674 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01402 131.8
[M+Na]+ 190.99596 136.0
[M-H]- 166.99946 131.5
[M+NH4]+ 186.04056 149.8
[M+K]+ 206.96990 134.5
[M+H-H2O]+ 151.00400 129.5
[M+HCOO]- 213.00494 140.5
[M+CH3COO]- 227.02059 171.4
[M+Na-2H]- 188.98141 131.9
[M]+ 168.00619 125.0
[M]- 168.00729 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe